O-(2-Chlorophenyl) dichlorothiophosphate
Basic information
- CAS
68591-34-4- Standard SMILES
S=P(Cl)(Cl)Oc1ccccc1Cl- InChIKey
XAABCCJFMXULPX-UHFFFAOYSA-N- Molecular formula
- C6H4Cl3OPS
- Average molar mass
- 261.5 g/mol
- Monoisotopic mass
- 259.878606
Names & identifiers
- Preferred name
- O-(2-Chlorophenyl) dichlorothiophosphate
- IUPAC
- dichloro-(2-chlorophenoxy)-sulfanylidene-λ5-phosphane
- English name
- 2-CHLOROPHENYL DICHLOROTHIOPHOSPHATE
- Molecular formula
- C6H4Cl3OPS
- Molecular weight
- 261.49
Names & synonyms
68591-34-4O-(2-Chlorophenyl) dichlorothiophosphateDTXSID90411207RefChem:366263DTXCID00362059623-532-0(2-chlorophenoxy)phosphonothioyl dichloridedichloro-(2-chlorophenoxy)-sulfanylidene-lambda5-phosphane2-chlorophenyl dichloro(sulfanylidene)phosphiniteSCHEMBL789941Phosphorodichloridothioic acid, O-(2-chlorophenyl) ester(2-chlorophenoxy)phosphonothioyldichloride
Show more names
2-CHLOROPHENYL DICHLOROTHIOPHOSPHATEO-(2-CHLOROPHENYL)PHOSPHORODICHLORIDOTHIONATE
O-(2-Chlorophenyl) phosphorodichloridothioateEN300-299539
Database identifiers
- CAS
68591-34-4- PubChem CID
- 5223209
- DTXSID
DTXSID90411207- EC Number
- 623-532-0
- Nikkaji
- J1.167.465H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 242 °C · 242 °C(lit.)
- Density
- 1.505 g/mL · 1.505 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.587(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 260 · H260-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P223-P231+P232-P280-P335+P334-P370+P378-P402+P404-P501
- Hazard Codes
- C
- Risk Statements
- 14 · 14-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3129 · UN 3129 4.3/PG 1
- WGK Germany
- 3 · 3
- F
- 9 · 9-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H260 (100%): In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases]
P223, P231+P232, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesWater-react. 1 (100%)
Safety data
- F
- 9-21
- wgk
- 3
- ridadr
- UN 3129 4.3/PG 1
- risk_code
- 14-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard statements
- H260-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P223-P231+P232-P280-P335+P334-P370+P378-P402+P404-P501
Suppliers
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Related reactions
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Compound notes
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