741-58-2 structure, C14H24NO4PS3

bensulide

CAS No.

741-58-2

Formula:

C14H24NO4PS3

Basic Info

Bensulide, is an organophosphate acetylcholinesterase inhibitor used as an herbicide.

Formula
C14H24NO4PS3
Molecular Weight
397.513
Exact Mass
397.061
LogP
5.8949
PSA
140.21
Synonyms

Bensulide

O,O-bis(1-methylethyl) S-[2-[(phenylsulfonyl)amino]ethyl] phosphorodithioate

O,O-diisopropyl-S-(2-benzenesulfonylaminoethyl)-phosphorodithioate

Benzulfide

Kayaphenone

Betasan E

Prefer

Disan

Betamec

O,O-diisopropyl S-(2-phenylsulfonaminoethyl) phosphorothioate

Prefar

O,O-bis(1-methylethyl) S-[2-[(phenylsulfonyl)amino]ethyl]phosphorodithioate

O,O-diisopropyl S-2-phenylsulfonylaminoethyl phosphorodithioate

S-[2-(benzenesulfonamido)ethyl] O,O-di(propan-2-yl) phosphorodithioate

S-2-benzenesulfonamidoethyl O,O-diisopropyl phosphorodithioate

Betasan

Exporsan

N-[2-di(propan-2-yloxy)phosphinothioylsulfanylethyl]benzenesulfonamide

N-(2-mercaptoethyl)benzenesulfonamide S-(O,O-diisopropyl phosphorodithiolate) ester

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Properties

Density
1.261g/cm3
Boiling Point
487.2ºC at 760 mmHg
Flash Point
248.4ºC
Refractive Index
1.557
Storage Condition
2-8ºC

Safety Info

RTECS
TE0250000
Risk Statements
R22; R50/53
RIDADR
UN 2811 6.1/PG 3

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 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name bensulide

1.2 Other means of identification

Product number -
Other names Bensulide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Herbicide
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

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

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H410 Very 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.

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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
bensulide bensulide 741-58-2 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. Refer for medical attention. See Notes.

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

Rest. Refer for medical attention . See Notes.

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

Exposure to active ingredient (ai) may cause cholinesterase inhibition. Atropine by injection is antidotal. 2-PAM is also antidotal when administered early and in conjunction with atropine. Never use morphine.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, powder, foam, 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 wash away into sewer. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

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. Separated from food and feedstuffs....Must be stored in its sealed original containers, in well-aired, fresh and dry storehouses or in shaded and possibly well-aired places. It is recommended that the product's temp ...not exceed 25-30°C, and keep ...away from sources of heat, free flames, or spark-generating equipment. Containers must be stacked in such a way as to permit free circulation of air ...at bottom and inside of piles. Storage areas must be located at suitable distance from inhabited buildings, animal shelters, and food stores; moreover, they must be inaccessible to unauthorized persons, children, and domestic animals. /Dimethoate/

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 COLOURLESS-TO-WHITE CRYSTALS.
Colour Viscous amber liquid above 34.4°C, solid below
Odour Camphor-like odor
Melting point/ freezing point 34.4°C
Boiling point or initial boiling point and boiling range 487.2ºC at 760 mmHg
Flammability Combustible. Liquid formulations containing organic solvents may be flammable. Gives off irritating or toxic fumes (or gases) in a fire.
Lower and upper explosion limit / flammability limit no data available
Flash point 248.4ºC
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Solubility at 20°C: 300 mg/l kerosene; miscible with acetone, ethanol, methyl isobutyl ketone, xylene.
Partition coefficient n-octanol/water (log value) log Kow = 4.20
Vapour pressure 8.0X10-7 mm Hg @ 25°C
Density and/or relative density 1.261g/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 AT 80 DEG C FOR 50 HR BUT DECOMPOSES @ 200 DEG C IN 18-40 HR

10.3 Possibility of hazardous reactions

FIRE POINT: 171 DEG C

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 very toxic fumes of /nitrogen oxides, sulfur oxides, and phosphorous oxides./

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat (male) oral 360 mg/kg
  • Inhalation: LC50 Rat inhalation >8.0 mg/l (1 hr)
  • Dermal: LD50 Rat percutaneous >2000 mg/kg

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

Cancer Classification: Not Likely to be Carcinogenic to Humans

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: Bensulide has been shown to be persistent in soil, with over 5 months required to reduce initial concentrations in soil to 75-100% of the amount applied(1). Under high temperatures, infrequent rainfall, and furrow irrigation, the half-life of bensulide activity was 6 months, with no biological activity after 22 months(2). Bensulide persisted in the soil when applied to a depth of 2.5 and 7.5 cm in a furrow-irrigated sandy loam soil(3); however, the compound was not detected at appreciable amounts 12 months following application rates of 4.5 and 9.0 kg/ha(3).

12.3 Bioaccumulative potential

An estimated BCF of 340 was calculated for bensulide(SRC), using a log Kow of 4.20(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), provided the compound is not altered physically or chemically once released into the environment(SRP).

12.4 Mobility in soil

The Koc of bensulide is estimated as 4,600(SRC), using a log Kow of 4.20(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that bensulide is expected to have slight mobility in soil. Bensulide applied to soil was shown to have a pesticide leaching potential, which relates soil half-life, application rate, and Koc, of 54 at pH 7 and 39 at pH 5(4), suggesting moderate and low potential for contaminating groundwater, respectively(5).

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: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
bensulide bensulide 741-58-2 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) Listed.

16.Other information

Information on revision

Creation Date Aug 14, 2017
Revision Date Aug 14, 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 Predict 1H proton NMR
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Analysis Methods

Kovats' RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
2728.
Temperature Control
Method
custom temperature program
Comments
30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min)
Reference
Tanabe, A.Mitobe, H.Kawata, K.Sakai, M.Yasuhara, A.New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometryJ. AOAC Int.2000, 83, 1, 61-77.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
HP-5
Retention index
2728.
Temperature Control
Method
custom temperature program
Comments
30. m/0.25 mm/0.25 μm; Program: 50 0C (1 min) <sup> </sup>20 0C/min -&gt; 150 0C <sup> </sup>10 0C/min -&gt; 280 0C
Reference
Kawara, K.Asada, T.Oikawa, K.Tanabe, A.Multiresidue determination of pesticides in sediments by ultrasonically assisted extraction and gas chromatography/mass spectrometryJ. AOAC International2005, 88, 5, 1440-1451.

Toxicity

ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
271 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C42,1991
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Administration onto the skin
Species Observed
Rodent - rat
Dose/Duration
3950 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,63,1991
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Unreported
Species Observed
Rodent - rat
Dose/Duration
770 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Chemistry of Pesticides, Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,375,1971

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