Basic information
- Standard SMILES
O=P(Cl)(Cl)Oc1ccc(Cl)cc1- InChIKey
CCZMQYGSXWZFKI-UHFFFAOYSA-N- Molecular formula
- C6H4Cl3O2P
- Average molar mass
- 245.4 g/mol
- Monoisotopic mass
- 243.90144904
Names & identifiers
- Preferred name
- p-Chlorophenyl dichlorophosphate
- IUPAC
- 1-chloro-4-dichlorophosphoryloxybenzene
- English name
- 4-CHLOROPHENYL PHOSPHORODICHLORIDATE
- Molecular formula
- C6H4Cl3O2P
- Molecular weight
- 245.43
Names & synonyms
772-79-24-Chlorophenyl phosphorodichloridatep-Chlorophenyl dichlorophosphate1-chloro-4-dichlorophosphoryloxybenzenePhosphorodichloridic acid, 4-chlorophenyl ester7XWU93C7YNEINECS 212-254-1CCZMQYGSXWZFKI-UHFFFAOYSA-DTXSID80227950RefChem:858031DTXCID30150441212-254-1
Show more names
Pyrimethamine Impurity 14-Chlorophenyl dichloridophosphate4-Chlorophenyl dichlorophosphinate4-chlorophenyl phosphonodichloridatep-Chlorophenyl phosphorodichloridate4-Chlorophenyl dichlorophosphate 99%
InChI=1/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H4-Chlorophenyl dichlorophosphate4-ChlorophenylphosphorodichloridateMFCD000097054-CHLOROPHENYL CHLOROPHOSPHONOCHLORIDATE4-Chlorophenylphosphoryl Dichloride4-Chlorophenyl Dichlorophosphinate; 4-Chlorophenyl Phosphorodichloridate;p-Chlorophenyl Dichlorophosphate; p-Chlorophenyl Phosphorodichloridate;UNII-7XWU93C7YN
Database identifiers
- CAS
772-79-2- PubChem CID
- 69879
- DTXSID
DTXSID80227950- UNII
- 7XWU93C7YN
- EC Number
- 212-254-1
- Nikkaji
- J193.157A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 142 °C/11 · 142 °C/11 mmHg (lit.)
- Density
- 1.508 g/mL · 1.508 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.539(lit.)
- Flash point
- 223 °F · 223 °F
- storage temp.
- 0 · Store at 0-5°C
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 910754 · 910754
- InChI
- InChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H
- InChIKey
- CCZMQYGSXWZFKI-UHFFFAOYSA-N
- SMILES
- P(Cl)(Cl)(OC1=CC=C(Cl)C=C1)=O
- CAS DataBase Reference
- 772 · 772-79-2(CAS DataBase Reference)
- FDA UNII
- 7 XWU93C7YN · 7XWU93C7YN
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314-H290
- Precautionary statements
- 234 · P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P501a
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 14 · 14-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29199000 · 29199000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- F
- 10
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29199000
- risk_code
- 14-34
- 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
- H318-H314-H290
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P501a
Chemistry & industry
Applications
Uses4-Chlorophenyl phosphorodichloridate is used as phosphorylation agent. Reactant for preparation of antimicrobial agents, antioxidant agents, antitumor agents, nucleotide anti-viral prodrug.
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Related reactions
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