297-78-9 structure, C9H4Cl8O

isobenzan

CAS No.

297-78-9

Formula:

C9H4Cl8O

Basic Info

Isobenzan (telodrin) is a highly toxic organochloride insecticide. It was produced only in the period from 1958 to 1965 and its use has been since discontinued. It is a persistent organic pollutant that can remain in soil for 2 to 7 years, and the biological half-life of isobenzan in human blood is estimated to be about 2.8 years.
It is classified as an extremely hazardous substance in the United States as defined in Section 302 of the U.S. Emergency Planning and Community Right-to-Know Act (42 U.S.C. 11002), and is subject to strict reporting requirements by facilities which produce, store, or use it in significant quantities.

Formula
C9H4Cl8O
Molecular Weight
411.751
Exact Mass
407.777
LogP
5.2243
PSA
9.23
Synonyms

(1Ξ,3Ξ,3aΞ,4Ξ,7Ξ,7aΞ)-1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzofuran

Isobenzan [ISO:BSI]

1,3,4,5,6,7,10,10-Octachlor-4,7-endomethylen-4,7,8,9-tetrahydrophthalan-<14C>

Shell 4402

Omtan

1,3,4,5,6,7,10,10-Octachlor-4,7-methylen-4,7,8,9-tetrahydrophthalan

Isobenzan

Caswell No. 609

1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran

14C-Telodrin

1,3,4,5,6,7,10,10-Octachlor-4,7-methano-4,7,8,9-tetrahydrophthalan

Preparation 948

Shell WL 1650

Telodrin

Bas-4402

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Properties

Appearance & Physical State
White powder
Density
1.9g/cm3
Boiling Point
421.5ºC at 760mmHg
Melting Point
120-122ºC
Flash Point
156.3ºC
Refractive Index
1.634
Vapor Pressure
6.37E-07mmHg at 25°C

Safety Info

Safety Statements
S22
WGK Germany
1
Risk Statements
R27/28; R50
RIDADR
UN 2761
Hazard Class
6.1(a)
Packing Group
II
Hazard Codes

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 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name isobenzan

1.2 Other means of identification

Product number -
Other names (1Ξ,3Ξ,3aΞ,4Ξ,7Ξ,7aΞ)-1,3,4,5,6,7,8,8-octachloro-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzofuran

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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 2

Acute toxicity - Dermal, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H300 Fatal if swallowed

H310 Fatal in contact with skin

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P262 Do not get in eyes, on skin, or on clothing.

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

P273 Avoid release to the environment.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/…

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P310 Immediately call a POISON CENTER/doctor/…

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P391 Collect spillage.

Storage

P405 Store locked up.

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
isobenzan isobenzan 297-78-9 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

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

This material is highly toxic. It is absorbed by the skin as well as by the respiratory and gastrointestinal tract. Symptoms may last for a long time because the material is eliminated slowly; its half-life in human blood is 2.77 years. (EPA, 1998)

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

Absorption, Distribution and Excretion

Isobenzan is absorbed by the skin as well as by the respiratory and GI tracts. ... Following iv injection, 13 and 16% of radioactive isobenzan was excreted in 48 hr by male and female rats, respectively, in the form of a hydrophillic metabolite.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

(Non-Specific -- Dry Insecticide) Avoid breathing dusts and fumes from burning material. Keep upwind. Avoid bodily contact with the material. Wear full protective clothing including boots, protective gloves, goggles, and wear self-contained breathing apparatus. (Non-Specific -- Dry Insecticide) Use agent suitable for type of surrounding fire. Use water in flooding quantities as fog. Use alcohol foam, carbon dioxide, or dry chemical. (EPA, 1998)

5.2 Specific hazards arising from the chemical

Chlorine is evolved when this material is heated above 410F. Avoid acids, certain metal salts, and catalytically active carriers. (EPA, 1998)

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

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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 powder
Colour Whitish to light brown powder
Odour no data available
Melting point/ freezing point 120-122ºC
Boiling point or initial boiling point and boiling range 421.5ºC at 760mmHg
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 156.3ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Sol in ether, acetone, benzene, xylene, heavy aromatic naphtha
Partition coefficient n-octanol/water (log value) log Kow = 4.51 /Estimated/
Vapour pressure 6.37E-07mmHg at 25°C
Density and/or relative density 1.9g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Relatively stable to acids; dehydrochlorination may occur under strong akaline conditions.

10.3 Possibility of hazardous reactions

Chlorine is evolved when ISOBENZAN is heated above 410F. Avoid acids, certain metal salts, and catalytically active carriers. [EPA, 1998].

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

When heated to decomposition it emits toxic fumes of /hydrogen chloride/.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat male (hooded) oral 11.1 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

AEROBIC: Microbial degradation studies found no evidence of biodegradation of isobenzan in soil studies using 250 and 2500 ppm over 30 days(1), however, the method only observed carbon dioxide evolution ignoring the possibility of biological epoxidation. Biodegradation of isobenzan in 4 different soil samples at 45°C for 4 days resulted in trace-74% of initial isobenzan concentration detected(2). Another study calculated a soil half-life of 20-26 weeks depending on soil content(3,4).

12.3 Bioaccumulative potential

An estimated BCF of 600 was calculated for isobenzan(SRC), using an estimated log Kow of 4.51(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for isobenzan can be estimated to be 4,700(SRC). According to a classification scheme(2), this estimated Koc value suggests that isobenzan is expected to have slight mobility in soil.

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: UN2761 IMDG: UN2761 IATA: UN2761

14.2 UN Proper Shipping Name

ADR/RID: ORGANOCHLORINE PESTICIDE, SOLID, TOXIC
IMDG: ORGANOCHLORINE PESTICIDE, SOLID, TOXIC
IATA: ORGANOCHLORINE PESTICIDE, SOLID, TOXIC

14.3 Transport hazard class(es)

ADR/RID: 6.1(a) IMDG: 6.1(a) IATA: 6.1(a)

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

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
isobenzan isobenzan 297-78-9 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Not Listed.

16.Other information

Information on revision

Creation Date Aug 19, 2017
Revision Date Aug 19, 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.

Spectrum

NMR Spectrum 1H NMR : Predict
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Related Compound Information