696-28-6 structure, C6H5AsCl2

dichloro(phenyl)arsane

CAS No.

696-28-6

Formula:

C6H5AsCl2

Basic Info

Phenyldichloroarsine, NATO abbreviation PD, is an organic arsenical vesicant and vomiting agent developed by Germany and France for use as a chemical warfare agent during World War I. The agent is known by multiple synonyms and is technically classified as a vesicant, or blister agent.

Formula
C6H5AsCl2
Molecular Weight
222.931
Exact Mass
221.898
LogP
1.8594
PSA
0
Synonyms

Phenyl dichloroarsine

phenylarsenic(III) dichloride

Dichlorophenylarsine

phenylarsonous acid dichloride

Arsonous dichloride, phenyl-

Arsonous dichloride,phenyl

Arsine,dichlorophenyl

Phenylarsine dichloride

Phenyl dichlorarsine

Dichlor-phenyl-arsin

Arsine dichloride,phenyl

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Properties

Density
1.654
Boiling Point
252~255
Melting Point
-15.6ºC

Safety Info

HS Code
2931900023
RIDADR
UN 1556
Hazard Class
6.1(a)

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 dichloro(phenyl)arsane

1.2 Other means of identification

Product number -
Other names Phenyl dichloroarsine

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

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
dichloro(phenyl)arsane dichloro(phenyl)arsane 696-28-6 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

Median lethal dosage 2600 mg-minute/m3. Mean incapacitating dosage 16 mg-minute/m3 as a vomiting agent and 1800 mg-minute/m3 as a blistering agent. 633 mg-minute/m3 produces eye injury. Poisonous; may be fatal if inhaled, swallowed, or absorbed through skin. Contact may cause burns to skin and eyes. Strong irritant to eyes, skin, and issue. (EPA, 1998)

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

Absorption, Distribution and Excretion

The purpose of the study was to identify binding sites of organic arsenic in the erythrocyte and to explain species differences in binding. Washed erythrocytes were exposed to graded concentrations of (14)C-phenyldichloroarsine (PDA) in phosphate-buffered saline containing 0.1% glucose and 0.1% bovine serum albumin. At low phenyldichloroarsine concentrations, all cells bind the arsenical rapidly (within 10 min) and quantitatively. Human, pig, hamster, guinea pig, and mouse erythrocytes approached saturation at 0.02-0.3 mumol phenyldichloroarsine/10(9) cells, depending on the species. Saturation points correlated well with each respective species erythrocyte glutathione content. In contrast, rat erythrocytes showed no sign of saturation at phenyldichloroarsine loads as high as 3.0 mumol/10(9) cells. Hemolysates of phenyldichloroarsine-treated erythrocytes were subjected to Sephadex G-75 gel filtration chromatography. (14)C from rat hemolysate was distributed between the hemoglobin and small molecular weight (glutathione-containing) fractions. In all other species, the (14)C eluted almost exclusively with the glutathione-containing fractions. In equilibrium dialysis experiments, human hemoglobin did not bind phenyldichloroarsine, whereas rat hemoglobin bound 2 phenyldichloroarsine/mol with Kd approximately 5 m. In conclusion, glutathione is the principle binding site of phenyldichloroarsine in erythrocytes. In most species,the arsenical does not bind to hemoglobin, even though it has free (titratable) sulfhydryls considerably in excess of the glutathione concentration. In rat erythrocytes, phenyldichloroarsine binds both to glutathione and to hemoglobin.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Wear positive pressure breathing apparatus. Move container from fire area if you can do it without risk. Fight fire from maximum distance. Dike fire control water for later disposal; do not scatter the material. Extinguish with dry chemical, carbon dioxide, water spray, foam, or fog. (EPA, 1998)

5.2 Specific hazards arising from the chemical

This material may burn but does not ignite readily. Containers may explode in heat of fire. Fire and runoff from fire control water may produce irritating or poisonous gases. Upon decomposition hydrogen chloride and phenylarsenious oxide are emitted. Unstable. Decomposed by water. (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

Decontamination of closed areas may be accomplished with bleach or bicarbonate solns. No decontamination of open areas is needed.

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 Phenyldichloroarsine is a colorless odorless liquid. Density 1.654 g / cm3. Used as a lachrymator poison gas. Toxic by inhalation and skin absorption.
Colour Liquid; microcrystalline mass @ freezing point
Odour no data available
Melting point/ freezing point -15.6ºC
Boiling point or initial boiling point and boiling range 252~255
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point High enough not to interfere with military use (EPA, 1998)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Soluble in acetone
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure 0.033 mm Hg at 25°C (EPA, 1998)
Density and/or relative density 1.654
Relative vapour density 7.7 (EPA, 1998) (Relative to Air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

VOLATILITY 404 MG/CU M @ 20 DEG C

10.3 Possibility of hazardous reactions

PHENYLDICHLOROARSINE is incompatible with acids and bases. A reducing agent, therefore generally incompatible with oxidizing agents.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

When exposed to heat, water, or steam it reacts to produce corrosive fumes of /chloride/.

10.6 Hazardous decomposition products

Decomposes /in/ water.

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: LC50 Mouse inhalation 3300 mg/cu m/10 min
  • 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

The Human Health Assessment Group in EPA's Office of Health and Environmental Assessment has evaluated dichlorophenylarsine for carcinogenicity. According to their analysis, the weight-of-evidence for dichlorophenylarsine is group D, which is based on no data evidence in humans and no data evidence in animals. As a group D chemical, dichlorophenylarsine is considered not classifiable to human carcinogenicity. Organic arsenic compounds are considered to be chemically different from the inorganic arsenic compounds such that they are assessed for carcinogenicity separately from the inorganic arsenic compounds. There are no data (weight-of-evidence group D) implicating organic arsenic compounds so that the carcinogenicity is indeterminate of this time.

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

no data available

12.3 Bioaccumulative potential

An estimated BCF of 46 was calculated for phenyldichloroarsine(SRC), using an estimated log Kow of 3.1(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). However, phenyldichloroarsine rapidly hydrolyzes in water(4); therefore, bioconcentration may be less than estimated(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc for phenyldichloroarsine can be estimated to be 820(SRC). According to a classification scheme(2), this estimated Koc value suggests that phenyldichloroarsine is expected to have low mobility in soil(SRC).

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: UN1556 IMDG: UN1556 IATA: UN1556

14.2 UN Proper Shipping Name

ADR/RID: ARSENIC COMPOUND, LIQUID, N.O.S., inorganic, including: Arsenates, n.o.s., Arsenites, n.o.s.; and Arsenic sulphides, n.o.s.
IMDG: ARSENIC COMPOUND, LIQUID, N.O.S., inorganic, including: Arsenates, n.o.s., Arsenites, n.o.s.; and Arsenic sulphides, n.o.s.
IATA: ARSENIC COMPOUND, LIQUID, N.O.S., inorganic, including: Arsenates, n.o.s., Arsenites, n.o.s.; and Arsenic sulphides, n.o.s.

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: unknown IMDG: unknown IATA: unknown

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

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
dichloro(phenyl)arsane dichloro(phenyl)arsane 696-28-6 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 Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) 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 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 1H NMR : Predict
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Related Compound Information