p-Chlorophenyl dichlorophosphate

HCID 69879CAS 772-79-2

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

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.

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

Related reactions

6 records

Linked notes

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