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(2,4-Dihydroxyphenyl)arsonic acid

HCID 223335
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Basic information

CAS
6269-96-1
Standard SMILES
O=[As](O)(O)c1ccc(O)cc1O
InChIKey
IRNHKTKWGLKNNU-UHFFFAOYSA-N
Molecular formula
C6H7AsO5
Average molar mass
234.04 g/mol
Monoisotopic mass
233.950943

Names & identifiers

Preferred name
(2,4-Dihydroxyphenyl)arsonic acid
IUPAC
(2,4-dihydroxyphenyl)arsonic acid

Names & synonyms

(2,4-dihydroxyphenyl)arsonic acid6269-96-1DTXSID60278980RefChem:394597DTXCID30230136684-716-4NSC33895ANTINEOPLASTIC-10878ANTINEOPLASTIC-33895SCHEMBL66734402,4-dihydroxy-phenylarsonic acidNSC10878
Show more names
phenylarsonic acid, 2,4-dihydroxy-NSC-10878NSC-33895

Database identifiers

CAS
6269-96-1
PubChem CID
223335
DTXSID
DTXSID60278980
EC Number
684-716-4

Properties

Computed structural properties

Topological polar surface area
98 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
200

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

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Compound notes

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