15545-48-9 structure, C10H13ClN2O

chlorotoluron

CAS No.

15545-48-9

Formula:

C10H13ClN2O

Basic Info

Chlortoluron is a herbicide used to control broadleaf and annual grass weeds in cereal fields.

Formula
C10H13ClN2O
Molecular Weight
212.676
Exact Mass
212.072
LogP
2.8149
PSA
32.34
Synonyms

N’-(3-chloro-4-methylphenyl)-N,N-dimethylurea

Chlorotoluron

3-(3-chloro-p-tolyl)-1,1-dimethylurea

Chlortoluron

3-(3-chloro-4-methylphenyl)-1,1-dimethylurea

3-(3-Chloro-4-methyl)-1,1-dimethylurea

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Properties

Appearance & Physical State
Colorless, odorless crystals
Density
1.218 g/cm3
Boiling Point
367.8ºC at 760 mmHg
Melting Point
147-148ºC
Flash Point
176.2ºC
Refractive Index
1.586
Stability
Stable under normal conditions in neutral media. Hydrolyzed by strong acids and alkalis.
Storage Condition
APPROX 4ºC
Vapor Pressure
1.33E-05mmHg at 25°C

Safety Info

RTECS
YS7230000
Safety Statements
S26-S36/37-S46-S60-S61
Risk Statements
R40; R50/53; R63
HS Code
2924299035
RIDADR
UN 3077
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 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name chlorotoluron

1.2 Other means of identification

Product number -
Other names Chlorotoluron

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

Carcinogenicity, Category 2

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

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

H410 Very toxic to aquatic life with long lasting effects

H361d

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P273 Avoid release to the environment.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

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
chlorotoluron chlorotoluron 15545-48-9 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

Fresh air, rest. 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.

4.2 Most important symptoms/effects, acute and delayed

no data available

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

1. WASH CONTAMINATED SKIN WITH SOAP & WATER. 2. FLUSH CONTAMINATED EYES WITH COPIOUS AMOUNTS OF FRESH WATER FOR 15 MINUTES. 3. INGESTIONS OF SMALL AMOUNTS (LESS THAN 10 MG/KG BODY WEIGHT) OCCURRING LESS THAN AN HOUR BEFORE TREATMENT, ARE PROBABLY BEST TREATED BY: A. SYRUP OF IPECAC, FOLLOWED BY 1-2 GLASSES OF WATER. DOSE FOR ADULTS & CHILDREN OVER 12 YEARS: 30 ML. DOSE FOR CHILDREN UNDER 12 YEARS: 15 ML. B. ACTIVATED CHARCOAL: /PRC: 30 G ACTIVATED CHARCOAL IN 3-4 OZ WATER (CHILDREN), 100 G IN 8-10 OZ WATER (ADULT)/...AFTER VOMITING STOPS. C. SODIUM OR MAGNESIUM SULFATE, 0.25 G/KG IN TAP WATER, AS A CATHARTIC. /PESTICIDES OF LOW OR MODERATE TOXICITY/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, foam, dry powder, carbon dioxide.

5.2 Specific hazards arising from the chemical

no data available

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

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. Carefully collect remainder.

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

Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access. Separated from strong bases, strong acids and food and feedstuffs.

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 Colorless, odorless crystals
Colour COLORLESS CRYSTALS
Odour ODORLESS
Melting point/ freezing point 147-148ºC
Boiling point or initial boiling point and boiling range 367.8ºC at 760 mmHg
Flammability Combustible. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 176.2ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility IT IS SOLUBLE IN MOST ORGANIC SOLVENTS
Partition coefficient n-octanol/water (log value) Log Kow = 2.41
Vapour pressure 1.33E-05mmHg at 25°C
Density and/or relative density 1.218 g/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

Stable under normal conditions in neutral media. Hydrolyzed by strong acids and alkalis.

10.3 Possibility of hazardous reactions

no data available

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 greater than 10000 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

Degradation of chlortoluron proceeds through the cleavage of the C-N bond as demonstrated using both soil and microbial culture studies(1). Chlortoluron had a half-life in soil of 4-6 weeks(2). The only metabolite identified in this study was monomethyl chlortoluron(2). A half-life of between 6-18 weeks was reported for chlortoluron(3). In biometer experiments, half-lives of 93 days and 40 days were measured for chlortoluron in a silty sand and silty loam soil, respectively(4). However, the disappearance of this compound in an outdoor lysimeter experiment was slower in silty loam (49 days, fallow land; 38 days, barley field) than in silty sand(52 days, fallow land; 14 days, barley field)(4). The main metabolite of chlortoluron degradation was N-dimethylated chlortoluron(4). Chlortoluron, applied as either a suspendible concentrate or wettable powder, had a calculated half-life of 96 days for both conditions in one soil (pH 5.1; organic carbon 4.1%; silt 16%; water holding capacity 27%); a second soil (pH 7.0; organic carbon 1.6%; silt 11% water holding capacity 16.6%) had calculated half-lives of 82 and 84 days for a suspendible concentrate and wettable powder, respectively(5).

12.3 Bioaccumulative potential

An estimated BCF value of 40 was calculated for chlortoluron(SRC), using an experimental log Kow of 2.41(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme, this BCF value suggests that bioconcentration in aquatic organisms is moderate, not high(3). Winter wheat grown in soil containing 4.7 mg chlortoluron/kg dry soil had bioconcentration factors of 21 and 22 for root material and for shoots, respectively (bioconcentration factor is the concentration of 14C from the chlortoluron in the plant versus the soil)(4).

12.4 Mobility in soil

An average organic matter-water distribution of 60 was measured for seven soils (organic matter range 1.09-5.92%; pH range 5.9-7.5)(1). Seventeen soils from Australia had a range of organic matter-water distribution values for this compound from 25-85, giving Koc values ranging from 1-3467 (organic matter range 0.19-6.62; pH range 4.8-8.4)(2). Leaching was studied following field application of chlortoluron to a sandy soil; after 10 cm of rain had fallen, >2 mg/kg, 1 mg/kg, 0.5 mg/kg, and a trace remained in the 0-2.5, 2.5-5, 5-7.5, and 7.5-10 cm depth, respectively(2). Chlortoluron has measured Koc values ranging from 146-346 for eight Czechoslovakian soils (mean=228), with higher values corresponding to soils with a greater content of organic matter(3). Koc values of 271 and 419 were measured for a loamy sand and a mucky peat soil, respectively, at 25°C(4). According to a recommended classification scheme(5), these estimated Koc values suggest that chlortoluron has moderate mobility in soil(SRC). Adsorption of chlortoluron corresponds to an L-isotherm indicating that as the solution concentration increases, there is a decrease in site availability(6). Chlortoluron, applied at a rate of 2.0 kg/ha to sandy soil monoliths containers, had a measured Koc of 160 and 113 in the A and B horizons, respectively(7). The addition of liquid manure, increasing the organic carbon content, resulted in reduced mobility(7).

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: UN3077 IMDG: UN3077 IATA: UN3077

14.2 UN Proper Shipping Name

ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.
IATA: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: unknown IMDG: unknown IATA: unknown

14.4 Packing group, if applicable

ADR/RID: unknown IMDG: unknown IATA: unknown

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
chlorotoluron chlorotoluron 15545-48-9 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) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 13, 2017
Revision Date Aug 13, 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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Synthesis Route

Related Compound Information