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Benzylphosphonic acid

Benzylphosphonic acid structure

CAS No:
6881-57-8
Formula:
C7H9O3P
Chemical Name:
Benzylphosphonic acid
Synonyms:
Phosphonic acid,P-(phenylmethyl)-;Phosphonic acid,benzyl-;Phosphonic acid,(phenylmethyl)-;P-(Phenylmethyl)phosphonic acid;α-Toluenephosphonic acid;Phenylmethanephosphonic acid;Benzylphosphonic acid
Categories:
Organic Chemistry > Phosphines

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Description

White powder

Benzylphosphonic acid Basic Attributes

Molecular Weight：

172.12

Exact Mass：

172.12

BRN：

2519318

DSSTox ID：

DTXSID2064498

HScode：

29310099

Characteristics

PSA：

57.5

XLogP3：

-0.24

Appearance：

White Powder

Density：

1.4±0.1 g/cm3

Melting Point：

165 °C

Boiling Point：

378.2±35.0 °C at 760 mmHg

Flash Point：

182.5±25.9 °C

Refractive Index：

1.572

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3261

wgk germany：

hazard class code：

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

benzylphosphonic acid

Benzylphosphonic acid Use and Manufacturing

Manufacturing Info：

Phosphonic acid, P-(phenylmethyl)-: INACTIVE

Computed Properties

Molecular Weight:172.12
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:172.02893114
Monoisotopic Mass:172.02893114
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:157
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes