Basic information
- CAS
644-97-3- Standard SMILES
ClP(Cl)c1ccccc1- InChIKey
IMDXZWRLUZPMDH-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2P
- Average molar mass
- 178.98 g/mol
- Monoisotopic mass
- 177.95059215
Overview
Benzene phosphorus dichloride appears as a colorless, fuming liquid. Density 1.32 g / cm3. Flash point 102 °C. Corrosive to metals and tissue.
Names & identifiers
- Preferred name
- Phenyl phosphorus dichloride
- IUPAC
- dichloro(phenyl)phosphane
- English name
- Dichlorophenylphosphine
- Molecular formula
- C6H5Cl2P
- Molecular weight
- 178.98
Names & synonyms
Show more names
Database identifiers
- CAS
644-97-3- PubChem CID
- 12573
- DTXSID
DTXSID4027282- ChEMBL
CHEMBL1899635- UNII
- WRU258L1EW
- EC Number
- 211-425-8
- Nikkaji
- J34.568G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 79.1
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Phosphorus Compounds
Corrosives
Density
1.14 at 77 °F (USCG, 1999) - Denser than water; will sink
1.356 @ 20 °C/4 °C
Solubility
SOL IN COMMON INERT ORGANIC SOLVENTS
MISCIBLE WITH BENZENE, CARBON DISULFIDE
Flash Point
215 °F (USCG, 1999)
215 °F OC May be lower because of presence of dissolved phosphorus
Boiling Point
430 °F at 760 mmHg (USCG, 1999)
224.6 °C @ 760 MM HG; 99-101 °C @ 11 MM HG
Melting Point
-60 °F (USCG, 1999)
-51 °C
Refractive Index
INDEX OF REFRACTION: 1.5958 @ 25 °C/D
INDEX OF REFRACTION: 1.6030 @ 20 °C/D
Physicochemical properties
- Melting point
- 51 °C · −51 °C(lit.)
- Boiling point
- 222 °C759 · 222 °C759 mm Hg(lit.)
- Density
- 1.319 g/mL · 1.319 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.597(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- form
- Liquid
- Specific Gravity
- 1.319 · 1.319 (20℃)
- color
- Clear colorless to slightly yellow
- Water Solubility
- Reacts
- Sensitive
- Moisture Sensitive
- BRN
- 508189 · 508189
- Henry's Law Constant
- 6.5 · 6.5×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- CAS DataBase Reference
- 644 · 644-97-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NCI Dictionary of Cancer Terms
- BPD
- FDA UNII
- 258 L1EW · WRU258L1EW
- NIST Chemistry Reference
- Phosphonous dichloride, phenyl-(644-97-3)
- EPA Substance Registry System
- Phosphonous dichloride, P-phenyl- (644-97-3)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H314-H335
- Precautionary statements
- 261 · P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazard Codes
- F,T
- Risk Statements
- 17 · 17-25-34-29-37-35-14
- Safety Statements
- 26 · 26-28-36/37/39-43-45-28A
- RIDADR
- 2798 · UN 2798
- WGK Germany
- 3 · 3
- RTECS
- 2478000 · TB2478000
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29310095 · 29310095
- Hazardous Substances Data
- 644 · 644-97-3(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (2 of 171) of reports.
Danger
H290 (63.2%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Phosphonous dichloride, phenyl-
Status: Active Update: 27-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/5488
Dichlorophenylphosphine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Special Hazards of Combustion Products: Toxic fumes include oxides of phosphorus and hydrogen chloride.
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
· EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily.
Health Hazards
Inhalation causes irritation of nose and throat; pulmonary edema may develop following severe exposures. Contact with skin or eyes causes severe burns. Ingestion causes severe burns of mouth and stomach. (USCG, 1999)
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
· CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
Corrosive to skin and tissue; Emergency treatment: Acids; [HSDB] Reacts with moisture producing hydrogen chloride and heat; May cause severe burns to skin and eyes; Inhalation of high concentrations may cause pulmonary edema; [CAMEO] Causes convulsions in mice after lethal doses; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]
DOT ID and Guide
2798 137
2798 137
Reactivity Profile
BENZENE PHOSPHORUS DICHLORIDE is incompatible with water, with bases (including amines), with strong oxidizing agents, and with alcohols. May react vigorously or explosively if mixed 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 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Fire or Explosion: EXCEPT FOR ACETIC ANHYDRIDE (UN1715), THAT IS FLAMMABLE, some of these materials may burn, but none ignite readily. May ignite combustibles (wood, paper, oil, clothing, etc.). Substance will react with water (some violently), releasing corrosive and/or toxic gases and runoff. Flammable/toxic gases may accumulate in confined areas (basement, tanks, hopper/tank cars, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated or if contaminated with water. Substance may be transported in a molten form.
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ Health: CORROSIVE and/or TOXIC; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death. Fire will produce irritating, corrosive and/or toxic gases. Reaction with water may generate much heat that will increase the concentration of fumes in the air. Contact with molten substance may cause severe burns to skin and eyes. Runoff from fire control or dilution water may cause pollution.
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ 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. Ventilate enclosed areas.
/GUIDE 137: SUBSTANCES - WATER-REACTIVE - CORROSIVE/ 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 PHENYL PHOSPHORUS DICHLORIDE (8 total), please visit the HSDB record page.
DOT Hazard Classification
Phenyl phosphorus dichloride
UN2798
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
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.
· 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
Get medical attention following all exposures to this compound.
General First Aid:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
· Wear positive pressure self-contained breathing apparatus (SCBA).
Isolation and Evacuation
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
Immediate precautionary measure
Immediate precautionary measure
Personal Protective Equipment (PPE)
Self-contained breathing apparatus; acid-type canister mask; goggles and face shield; rubber gloves; protective clothing. (USCG, 1999)
Self-contained breathing apparatus; acid-type canister mask; goggles & face shield; rubber gloves; protective clothing.
Emergency Response Planning Guidelines
· When material is not involved in fire, do not use water on material itself.
· When material is not involved in fire, do not use water on material itself.
Toxicology
Non-Human Toxicity Excerpts
SYMPTOMATOLOGY (...INGESTION OR SKIN CONTACT): 1. CORROSION OF MUCOUS MEMBRANES OF MOUTH, THROAT AND ESOPHAGUS, WITH IMMEDIATE PAIN AND DYSPHAGIA. NECROTIC AREAS...GRAYISH WHITE BUT SOON ACQUIRE A BLACKISH DISCOLORATION (YELLOW IN CASE OF NITRIC ACID) & SOMETIMES SHRUNKEN OR WRINKLED TEXTURE... 2. EPIGASTRIC PAIN...MAY BE ASSOC WITH NAUSEA & VOMITING... AT TIMES, GASTRIC HEMORRHAGE MAY BE INTENSE, AND VOMITUS THEN CONTAINS FRESH BLOOD. PROFOUND THIRST. 3. ULCERATION OF ALL MEMBRANES AND TISSUES WITH WHICH THE ACID COMES IN CONTACT. AFTER THE INGESTION OF CONCN MINERAL ACID, THIS CORROSION MAY LEAD WITHIN A FEW HR OR A FEW DAYS TO GASTRIC PERFORATION AND PERITONITIS. 4. CIRCULATORY COLLAPSE WITH CLAMMY SKIN, WEAK & RAPID PULSE, SHALLOW RESP, AND SCANTY URINE. CIRCULATORY EDEMA. /ACIDS/
SYMPTOMATOLOGY.../INGESTION/: 6. LATE ESOPHAGEAL, GASTRIC & PYLORIC STRICTURES & STENOSES, WHICH MAY REQUIRE MAJOR SURGICAL REPAIR, SHOULD BE ANTICIPATED. SIGNS OF OBSTRUCTION COMMONLY APPEAR WITHIN A FEW WK BUT MAY BE DELAYED FOR MONTHS AND EVEN YEARS. PERMANENT SCARS MAY ALSO APPEAR IN THE CORNEA, SKIN AND OROPHARYNX. 7. UNCORRECTED CIRCULATORY COLLAPSE OF SEVERAL HR...MAY LEAD TO RENAL FAILURE & ISCHEMIC LESIONS IN LIVER & HEART. /ACIDS/
Safety data
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TB2478000
- ridadr
- UN 2798
- hs_code
- 29310095
- risk_code
- 17-25-34-29-37-35-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- F,T
- safety_code
- 26-28-36/37/39-43-45-28A
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H301-H314-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- Hazardous Substances Data
- 644-97-3(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used in oil additives and in the production of plasticizers, polymers, and antioxidants; [HSDB]
ORGANIC SYNTHESIS; FOR DERIVATION OF PLASTICIZERS, POLYMERS, ANTIOXIDANTS; OIL ADDITIVES
CHEM INT, EG, FOR DICHLOROPHENYLPHOSPHINE OXIDE
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Applications
UsesOrganic synthesis, for derivation of plasticizers, polymers, antioxidants; oil additives.
UsesDichlorophenylphosphine and its derivatives are used as an intermediate to make plasticizers, antioxidants, stabilizers, catalysts and high pressure lubricant additives and in lacquer formulatings.
General DescriptionA colorless, fuming liquid. Density 1.32 g / cm3. Flash point 102°C. Corrosive to metals and tissue.
Upstream & downstream products
Downstream products
Related reactions
Compound notes
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