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Fosfosal

Fosfosal structure

CAS No:
6064-83-1
Formula:
C7H7O6P
Chemical Name:
Fosfosal
Synonyms:
Benzoic acid,2-(phosphonooxy)-;Salicylic acid,dihydrogen phosphate;Salicylic acid,phosphate;2-(Phosphonooxy)benzoic acid;o-Carboxyphenyl phosphate;Salicyl phosphate;2-Carboxyphenyl dihydrogen phosphate;Phosphoric acid o-carboxyphenyl ester;UR 1522;Fosfosal;UR 1521;Disdolen;2-Phosphonoxybenzoic acid;NSC 46475
Categories:
Organic Chemistry > Phosphines

Description

2-(Phosphonooxy)benzoic acid is a non-acetylated salicylic acid derivative which is used for treating inflammatory disease as well as in analgesic therapy[1].

2-phosphonooxybenzoic acid is an aryl phosphate.

Fosfosal Basic Attributes

Molecular Weight：

218.101

Exact Mass：

218.10

EC Number：

227-993-5

UNII：

124X2V25W4

NSC Number：

758155|46475

DSSTox ID：

DTXSID9045394

HScode：

2931900090

Characteristics

PSA：

113.87000

XLogP3：

-0.32

Density：

1.7±0.1 g/cm3

Melting Point：

169 °C

Boiling Point：

482.3±47.0 °C at 760 mmHg

Flash Point：

245.5±29.3 °C

Refractive Index：

1.620

Water Solubility：

Soluble in water.

Toxicity：

LD50 in male, female mice, male, female rats at pH 1.0, aq soln (mg/kg): 94, 105, 153, 257 i.v.; 352, 253, 338, 360 i.p.; 1455, 1539, 1104, 1213 orally; at pH 3.5 (mg/kg): 117, 118, 207, 215 i.v.; 1592, 1483, 1085, 1128 i.p.; 1702, 2007, 1685, 2225 orally (Sanchez)

Collision Cross Section：

138.4 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

hazard class code：

R22

safety instructions：

S26-S36

RTECS Number：

VO2770000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-carboxyphenylphosphoric acid

Fosfosal Use and Manufacturing

analgesic, antiinflammatory

Computed Properties

Molecular Weight:218.10
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:217.99802494
Monoisotopic Mass:217.99802494
Topological Polar Surface Area:104
Heavy Atom Count:14
Complexity:259
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes