95-14-7 structure, C6H5N3

benzotriazole

CAS No.

95-14-7

Formula:

C6H5N3

Basic Info

Benzotriazole (BTA) is a heterocyclic compound containing three nitrogen atoms, with the chemical formula C6H5N3. This aromatic compound is colorless and polar and can be used in various fields.

Formula
C6H5N3
Molecular Weight
119.124
Exact Mass
119.048
LogP
0.9579
PSA
41.57
Synonyms

1,2,3-Benzotriazole BTA

BENZOTRIAZOLE PHOTOGRADE

1,2,3-Benzotriazole

Benzotriazole (BTA)

1,2,3-BENZOTRIAZOL ZUR SYNTHESE

1H-Benzo[d][1,2,3]triazole

RusMin R

1.2.3-Benzotrialole

Seetec BT

BLS 1326

1,2,3 BENZOTRIAZOLE (BTA)

HETEROCYLIC NITROGEN

U-6233

Benzotriazole

1,2,3-BENZOTRIALOLE ( BTA )

1H-Benzotriazole

T706

1h-benzo

1, 2, 3 BENZOTRIAZOLE

1,2,3,-BENZOTRIAZOLE

1H-BENZOTRIAZOLE (BTA)

1,2,3-BENZO TRIAZOLE

Cobratec

1,2,3-BENZOTRIAZOLE,1H-BENZO[D][1,2,3]TRIAZOLE

cobratec99

1H-BENZOTRIAZOLE FOR SYNTHESIS

1,2,3-Benzotriazole(electronicgrade)

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Properties

Appearance & Physical State
White to light tan crystals or white powder
Density
1.348g/cm3
Boiling Point
204ºC (15 mmHg)
Melting Point
94-99ºC
Flash Point
170ºC
Water Solubility
25 g/l in water (20 ºC)
Stability
Stable, but may be light sensitive. Incompatible with strong oxidizing agents, heavy metals.
Storage Condition
Keep away from heat, sparks, and flame. Store in a cool, dry place. Keep from contact with oxidizing materials.
Vapor Density
4.1 (vs air)
Vapor Pressure
0.04 mm Hg ( 20 °C)

Safety Info

RTECS
DM1225000
Safety Statements
S26-S28-S36/37/39-S45
WGK Germany
1
Risk Statements
R11; R20/21/22; R36/37/38; R5
HS Code
2933990090
RIDADR
2811
Caution Statement
P273; P305 + P351 + P338
Hazard Codes
Hazard Declaration
Caution Statement

MSDS

SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name benzotriazole

1.2 Other means of identification

Product number -
Other names BENZOTRIAZOLE PHOTOGRADE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Corrosion inhibitors and anti-scaling agents
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
benzotriazole benzotriazole 95-14-7 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. This compound can react violently during vacuum distillation.

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher.

5.2 Specific hazards arising from the chemical

Flash point data are not available for this compound. It is probably combustible.

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Well closed.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state White to light tan crystals or white powder
Colour NEEDLES FROM BENZENE
Odour no data available
Melting point/ freezing point 28°C(lit.)
Boiling point or initial boiling point and boiling range 205°C/2mmHg(lit.)
Flammability Combustible.
Lower and upper explosion limit / flammability limit no data available
Flash point 170°C
Auto-ignition temperature 210°C
Decomposition temperature 260°C
pH no data available
Kinematic viscosity no data available
Solubility In water:25 g/l in water (20 ºC)
Partition coefficient n-octanol/water (log value) log Kow= 1.44
Vapour pressure 0.04 mm Hg ( 20 °C)
Density and/or relative density 1.348g/cm3
Relative vapour density 4.1 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

VERY STABLE TOWARD ACIDS & ALKALIES, & TOWARD OXIDATION & REDUCTION; IT FORMS STABLE METALLIC SALTS

10.3 Possibility of hazardous reactions

Dust explosion possible if in powder or granular form, mixed with air.The triazoles are a group of highly explosive materials that are sensitive to heat, friction, and impact. Sensitivity varies with the type substitution to the triazole ring. Metal chelated and halogen substitution of the triazol ring make for a particularly heat sensitive material. Azido and nitro derivatives have been employed as high explosives. No matter the derivative these materials should be treated as explosives.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 600 mg/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

1,2,3-BENZOTRIAZOLE WAS BIOL STABLE AS SOURCE OF ORG C FOR ACTIVATED SLUDGE INOCULUM.

12.3 Bioaccumulative potential

An estimated BCF of 2.5 was calculated for 1,2,3-benzotriazole(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

12.4 Mobility in soil

The Koc of 1,2,3-benzotriazole is estimated as 145(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggests that 1,2,3- benzotriazole is expected to have high mobility in soil. However, mobility of 1,2,3-benzotriazole will be affected by pH(2): the pKa of benzotriazole is 8.37(4), indicating that this compound will exist in the cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.2 UN Proper Shipping Name

ADR/RID: unknown
IMDG: unknown
IATA: unknown

14.3 Transport hazard class(es)

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.4 Packing group, if applicable

ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

14.5 Environmental hazards

ADR/RID: yes IMDG: yes IATA: yes

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
benzotriazole benzotriazole 95-14-7 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
MSDS
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Name: 1H-Benzotriazole 98% Material Safety Data Sheet
Synonym: 1H-Benzotriazole; 1,2,-Aminozophenylene; 1,2,3-Benzotriazole
CAS: 95-14-7
Section 1 - Chemical Product   MSDS Name:1H-Benzotriazole 98% Material Safety Data Sheet
Synonym:1H-Benzotriazole; 1,2,-Aminozophenylene; 1,2,3-Benzotriazole

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
95-14-7 1H-Benzotriazole 98% 202-394-1
Hazard Symbols: XN
Risk Phrases: 20/22 36/38 5

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed. Irritating to eyes and skin.
Heating may cause an explosion.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. Moderately toxic to humans by ingestion. May be harmful if swallowed. May cause central, peripheral, and autonomic nervous system effects.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
May cause central, peripheral, and autonomic nervous system effects.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Get medical aid if cough or other symptoms appear. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion. Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Remove all sources of ignition. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with skin and eyes. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Wash clothing before reuse.
Storage:
Keep away from heat, sparks, and flame. Store in a cool, dry place.
Keep from contact with oxidizing materials.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Good general ventilation should be sufficient to control airborne levels. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Appearance: yellow-beige
Odor: characteristic odor - weak odor
pH: Not available.
Vapor Pressure: .04 mm Hg @ 20C
Viscosity: Not available.
Boiling Point: 201 - 204 deg C @ 15.00mmHg
Freezing/Melting Point: 96.00 - 97.00 deg C
Autoignition Temperature: 400 deg C ( 752.00 deg F)
Flash Point: 195 deg C ( 383.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 20 g/l (20 c)
Specific Gravity/Density:
Molecular Formula: C6H5N3
Molecular Weight: 119.13

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable. However, may decompose if heated.
Conditions to Avoid:
High temperatures, incompatible materials, ignition sources, dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 95-14-7: DM1225000 LD50/LC50:
CAS# 95-14-7: Inhalation, rat: LC50 = 1910 mg/m3/3H; Oral, mouse: LD50 = 615 mg/kg; Oral, rat: LD50 = 560 mg/kg; Skin, rat: LD50 = >1 gm/kg.
Carcinogenicity:
1H-Benzotriazole - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Other For more information, see "HANDBOOK OF ENVIRONMENTAL FATE AND EXPOSURE DATA."

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Shipping Name: Not regulated.
Dangerous Goods Code:
UN Number:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
R 36/38 Irritating to eyes and skin.
R 5 Heating may cause an explosion.
Safety Phrases:
S 15 Keep away from heat.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
WGK (Water Danger/Protection)
CAS# 95-14-7: 2
United Kingdom Occupational Exposure Limits
Canada
CAS# 95-14-7 is listed on Canada's DSL List.
CAS# 95-14-7 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
CAS# 95-14-7: OEL-RUSSIA:STEL 5 mg/m3;Skin
US FEDERAL
TSCA
CAS# 95-14-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Related Compound Information