P-(4-Chlorophenyl)phosphonic acid

HCID 79484CAS 5431-35-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=P(O)(O)c1ccc(Cl)cc1
InChIKey
MVCIBABYNNIPFI-UHFFFAOYSA-N
Molecular formula
C6H6ClO3P
Average molar mass
192.53 g/mol
Monoisotopic mass
191.97430836

Names & identifiers

Preferred name
P-(4-Chlorophenyl)phosphonic acid
IUPAC
(4-chlorophenyl)phosphonic acid
English name
4-Chlorophenylphosphonic acid
Molecular formula
C6H6ClO3P
Molecular weight
192.54

Names & synonyms

5431-35-6Phosphonic acid, (p-chlorophenyl)-(p-Chlorophenyl)phosphonic acidP-(4-CHLOROPHENYL)PHOSPHONIC ACIDDTXSID20202680RefChem:1094138DTXCID50125171(4-chlorophenyl)phosphonic acidp-Chlorobenzenephosphonic acid4-CHLOROPHENYLPHOSPHONIC ACIDPhosphonic acid, (4-chlorophenyl)-QTP3VA9XN9
Show more names
Phosphonic acid, P-(4-chlorophenyl)-
MFCD00123303NSC-13560NSC 13560BRN 2936777C6H6ClO3PUNII-QTP3VA9XN9WLN: QPQO&R DGp-chlorophenylphosphonic acid

Database identifiers

CAS
5431-35-6
PubChem CID
79484
DTXSID
DTXSID20202680
UNII
QTP3VA9XN9
Nikkaji
J34.633K

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesCrystal structure

Physicochemical properties

Melting point
187 °C · 187 °C
Boiling point
378 · 378.0±44.0 °C(Predicted)
Density
1.57 · 1.57±0.1 g/cm3(Predicted)
pka
1 · pK1: 1.66;pK2: 6.75 (25°C)
FDA UNII
3 VA9XN9 · QTP3VA9XN9
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2931599090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
C
hazard_note
Corrosive
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Suppliers8 total

安徽合诺生物科技有限公司0555-2761852
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
吉林中科研伸科技有限公司18143011203 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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