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Phenylarsine oxide

Phenylarsine oxide structure

CAS No:
637-03-6
Formula:
C6H5AsO
Chemical Name:
Phenylarsine oxide
Synonyms:
Arsine,oxophenyl-;Benzene,arsenoso-;Oxophenylarsine;Arsenosobenzene;Arzene;Phenylarsine oxide;Phenylarsoxane;NSC 42470;8052-79-7
Categories:
Organic Chemistry > Arsenicals

Description

WHITE TO ALMOST WHITE CRYSTALS OR CRYST. POWDER

Phenylarsine oxide is an arsine oxide derived from phenylarsine. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an apoptosis inducer and an antineoplastic agent.

Phenylarsine oxide Basic Attributes

Molecular Weight：

168.025

Exact Mass：

168.02

EC Number：

211-275-3

UNII：

0HUR2WY345

NSC Number：

42470

DSSTox ID：

DTXSID5042249

HScode：

29310099

Characteristics

PSA：

17.07000

XLogP3：

0.47410

Density：

Melting Point：

145 °C

Boiling Point：

100ºC

Water Solubility：

Soluble in dimethyl sulfoxide, chloroform, benzene, ether, ethanol, 50:50 dimethyl sulfoxide:1 M hydrochloric acid (3.0 mg/ml) and toluene. Insoluble in water.

Toxicity：

LD50 ipr-mus: 1930 mg/kg JPETAB 74,210,42

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3465 6.1/PG 3

wgk germany：

hazard class code：

R23/25;R50/53

safety instructions：

S20/21-S28-S45-S60-S61

RTECS Number：

CH8100000

Marks：

T:Toxic;N:Dangerousfortheenvironment;

Stability/Shelf Life：

Stable.

Precautionary statement(s)：

P261-P273-P301 + P310-P311-P501

Hazard Statements：

H301 + H331-H410

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P301+P310, P304+P340, P311, P321, P330, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

MeSH Entry Terms：

oxophenylarsine

Phenylarsine oxide Use and Manufacturing

Uses

Pesticide.

Manufacturing Info：

Arsine, oxophenyl-: ACTIVE

Computed Properties

Molecular Weight:168.02
Hydrogen Bond Acceptor Count:1
Exact Mass:167.955634
Monoisotopic Mass:167.955634
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:76.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes