Basic information
- CAS
622-44-6- Standard SMILES
ClC(Cl)=Nc1ccccc1- InChIKey
TTWWZVGVBRPHLE-UHFFFAOYSA-N- Molecular formula
- C7H5Cl2N
- Average molar mass
- 174.02 g/mol
- Monoisotopic mass
- 172.97990452
Overview
Phenylcarbylamine chloride appears as a pale yellow oily liquid with an odor of onions. Highly toxic by inhalation and skin absorption. Strongly irritates skin and mucous membranes. Density 1.265 g / cm3. Insoluble in water and soluble in alcohol. Noncombustible.
Names & identifiers
- Preferred name
- Phenylimidocarbonyl chloride
- IUPAC
- 1,1-dichloro-N-phenylmethanimine
- English name
- Phenyl isocyanide dichloride
- Molecular formula
- C7H5Cl2N
- Molecular weight
- 174.03
Names & synonyms
Show more names
Database identifiers
- CAS
622-44-6- PubChem CID
- 12145
- DTXSID
DTXSID6074833- UNII
- 84XDL272K2
- EC Number
- 210-735-0
- Nikkaji
- J34.567I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Experimental & physicochemical properties
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 2nd degree
Physicochemical properties
- Melting point
- 19.5 °C · 19.5°C
- Boiling point
- 103 · 103-106°C 30mm
- Density
- 1 · 1,26 g/cm3
- refractive index
- 20 · n20/D 1.571(lit.)
- Flash point
- 79 °C · 79°C
- storage temp.
- 2 · 2-8°C
- pka
- -1.12 · -1.12±0.50(Predicted)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- FDA UNII
- 84 XDL272K2 · 84XDL272K2
- EPA Substance Registry System
- Phenylcarbylamine chloride (622-44-6)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H301-H315-H319-H227
- Precautionary statements
- 501 · P501-P260-P270-P210-P271-P264-P280-P284-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P310-P403+P233-P403+P235-P405
- Hazard Codes
- T
- Risk Statements
- 20 · 20/21/22-35-36/37-36/37/38-23-22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1672 · UN 1672
- WGK Germany
- 3 · 3
- RTECS
- 6700000 · NJ6700000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- I
- Hazardous Substances Data
- 622 · 622-44-6(Hazardous Substances Data)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire Hazards
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Health Hazards
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
Reactivity Profile
PHENYLCARBYLAMINE CHLORIDE may be incompatible with water, strong oxidizing agents, alcohols. Sealed containers held at room temperature may explode, due to slow decomposition that builds up pressure. This situation is more dangerous with heat. May react vigorously or explosively with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Emergency Guidelines
/GUIDE 151: SUBSTANCES - TOXIC (Non-combustible)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways.
/GUIDE 151: SUBSTANCES - TOXIC (Non-combustible)/ Health: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 151: SUBSTANCES - TOXIC (Non-combustible)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas.
/GUIDE 151: SUBSTANCES - TOXIC (Non-combustible)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
For more DOT Emergency Guidelines (Complete) data for PHENYLIMIDOCARBONYL CHLORIDE (8 total), please visit the HSDB record page.
DOT Hazard Classification
Phenylcarbylamine chloride
UN1672
Div 6.1 Poisonous materials (49 eCFR § 173.132)
PG I: the degree of danger presented by the material is great
Safety & protection
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.
First Aid
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
General First Aid:
Storage Conditions
IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS...SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
Isolation and Evacuation
Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Immediate precautionary measure
Small spill:
Small spill:
Toxicology
Human Toxicity Excerpts
... POTENT LACRIMATOR, BUT REQUIRES CONCN SEVERAL TIMES AS HIGH AS CHLOROACETOPHENONE FOR COMPARABLE EFFECT.
STRONG IRRITANT TO SKIN & MUCOUS MEMBRANES.
HIGHLY TOXIC BY INHALATION & SKIN ABSORPTION. STRONG IRRITANT TO SKIN & MUCOUS MEMBRANES.
Safety data
- wgk
- 3
- rtecs
- NJ6700000
- ridadr
- UN 1672
- risk_code
- 20/21/22-35-36/37-36/37/38-23-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- I
- Hazard statements
- H330-H301-H315-H319-H227
- Precautionary statements
- P501-P260-P270-P210-P271-P264-P280-P284-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P310-P403+P233-P403+P235-P405
- Hazardous Substances Data
- 622-44-6(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as a military tear gas and to produce other organic chemicals; [Hawley]
MILITARY POISON GAS
ORG SYNTHESIS
Applications
General DescriptionA pale yellow oily liquid with an odor of onions. Highly toxic by inhalation and skin absorption. Strongly irritates skin and mucous membranes. Density 1.265 g / cm3. Insoluble in water and soluble in alcohol. Noncombustible.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
Related reactions
Compound notes
Loading…