Basic information
- CAS
3497-00-5- Standard SMILES
S=P(Cl)(Cl)c1ccccc1- InChIKey
SXIWNIQDOJKDGB-UHFFFAOYSA-N- Molecular formula
- C6H5Cl2PS
- Average molar mass
- 211.05 g/mol
- Monoisotopic mass
- 209.92266315
Overview
Phenylphosphorus thiodichloride is a colorless liquid with unpleasant acrid pungent odor. Corrodes metals slowly.
Names & identifiers
- Preferred name
- Phenylthionophosphonic dichloride
- IUPAC
- dichloro-phenyl-sulfanylidene-λ5-phosphane
- English name
- Phenylthiophosphonic dichloride
- Molecular formula
- C6H5Cl2PS
- Molecular weight
- 211.05
Names & synonyms
Show more names
Database identifiers
- CAS
3497-00-5- PubChem CID
- 19016
- DTXSID
DTXSID2063054- UNII
- NO4H2EXV6A
- EC Number
- 222-494-9
- Nikkaji
- J24.866E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Chemical Classes
Toxic Gases & Vapors -> Other Toxic Gases & Vapors
Corrosives
Physical Description
Phenylphosphorus thiodichloride is a colorless liquid with unpleasant acrid pungent odor. Corrodes metals slowly.
Colorless liquid with an unpleasant pungent odor; [CAMEO] Light yellow liquid; [MSDSonline]
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 270 °C · 270 °C
- Density
- 1 · 1,4 g/cm3
- refractive index
- 1.6178 · 1.6178-1.6182
- Flash point
- 118 ℃ · 118℃
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Water Solubility
- 1.522 g/L · 1.522g/L(23 ºC)
- InChI
- 1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H
- InChIKey
- SXIWNIQDOJKDGB-UHFFFAOYSA-N
- SMILES
- ClP(Cl)(=S)c1ccccc1
- CAS DataBase Reference
- 3497 · 3497-00-5(CAS DataBase Reference)
- FDA UNII
- 4 H2EXV6A · NO4H2EXV6A
- EPA Substance Registry System
- Phosphonothioic dichloride, P-phenyl- (3497-00-5)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- C
- Risk Statements
- 34 · 34-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2799 · UN 2799
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HS Code
- 2931.9 · 2931.90.6000
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1B
- Hazardous Substances Data
- 3497 · 3497-00-5(Hazardous Substances Data)
Safety & regulation
GHS classification
GHS Classification
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire Hazards
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
· 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
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
· 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
Reacts slowly with water producing hydrogen chloride; Corrosive; [CAMEO] Reacts with moisture evolving hydrogen sulfide and hydrogen chloride; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; [MSDSonline]
DOT ID and Guide
2799 137
2799 137
Reactivity Profile
PHENYLPHOSPHORUS THIODICHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, amines, alkali. Contact with active metals generates flammable hydrogen gas. 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 PHENYLTHIONOPHOSPHONIC DICHLORIDE (8 total), please visit the HSDB record page.
DOT Hazard Classification
Phenyl phosphorus thiodichloride
UN2799
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
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
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)
Excerpt from ERG Guide 137 [Substances - Water-Reactive - Corrosive]:
Respiratory protection (supplied-air respirator with full facepiece or self-contained breathing apparatus) should be available where these compounds are manufactured or used and should be worn in case of emergency and overexposure. /Phosphorus compounds/
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
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- UN 2799
- hs_code
- 2931.90.6000
- risk_code
- 34-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314-H290
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Met. Corr. 1Skin Corr. 1B
- Precautionary statements
- P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazardous Substances Data
- 3497-00-5(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Uses & manufacturing
General Manufacturing Information
Phosphonothioic dichloride, P-phenyl-: ACTIVE
Precursor to leptophos
Applications
UsesPhenylthiophosphonic dichloride is a thiophosphonate and has been used to prepare high-refractive-index materials.
General DescriptionColorless liquid with unpleasant acrid pungent odor. Corrodes metals slowly.
Upstream & downstream products
Downstream products
Suppliers45 total
Related reactions
Compound notes
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