P-(Chloromethyl)phosphonic acid

HCID 75723

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Basic information

CAS: 2565-58-4
Standard SMILES: O=P(O)(O)CCl
InChIKey: MOFCYHDQWIZKMY-UHFFFAOYSA-N
Molecular formula: CH4ClO3P
Average molar mass: 130.47 g/mol
Monoisotopic mass: 129.9586587

Names & identifiers

Preferred name: P-(Chloromethyl)phosphonic acid
IUPAC: chloromethylphosphonic acid
English name: CHLOROMETHYLPHOSPHONIC ACID
Molecular formula: CH4ClO3P
Molecular weight: 130.47

Names & synonyms

Chloromethylphosphonic acid2565-58-4P-(Chloromethyl)phosphonic acidPhosphonic acid, (chloromethyl)-NSC-30691JVD32R8CLSDTXSID3062526RefChem:575905DTXCID7037349219-895-6(Chloromethyl)phosphonic acidCHLOROMETHYLPHOSPHONICACID

Show more names

chloromethylphosphitePhosphonomethyl chloride(chloromethyl)-phosphonicaciPhosphonic acid,P-(chloromethyl)-Chloromethyl phosphonic acid, 98 %

MFCD00013955Phosphonic acid, P-(chloromethyl)-Phosphonic acid, P -(chloromethyl)-CH4ClO3PChloromethanephosphonic acidMonochloromethyl phosphonic acidNSC 30691EINECS 219-895-6

Database identifiers

CAS: 2565-58-4
PubChem CID: 75723
DTXSID: DTXSID3062526
UNII: JVD32R8CLS
EC Number: 219-895-6
Nikkaji: J135.740I

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 74

Physicochemical properties

Melting point: 127 · 127-129℃
Boiling point: 333.8 · 333.8±44.0 °C(Predicted)
Density: 1.726 · 1.726±0.06 g/cm3 (20 ºC 760 Torr)
pka: 1 · pK1: 1.40;pK2: 6.30 (25°C)
InChI: InChI=1S/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey: MOFCYHDQWIZKMY-UHFFFAOYSA-N
SMILES: P(CCl)(=O)(O)O
CAS DataBase Reference: 2565 · 2565-58-4
EPA Substance Registry System: Phosphonic acid, (chloromethyl)- (2565-58-4)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H302+H312
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
TSCA: TSCA listed
HS Code: 29319090 · 29319090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Phosphonic acid, (chloromethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Regulatory information

Regulatory InformationChemical: Phosphonic acid, (chloromethyl)-

Safety data

tsca: TSCA listed
hs_code: 29319090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H314-H302+H312
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501