CAS 89590-22-7 1,3-Benzoxazol-4-ol (HCID 13720697)

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Basic information

CAS: 89590-22-7
Standard SMILES: Oc1cccc2ocnc12
InChIKey: MGQPBXGHGXFKJW-UHFFFAOYSA-N
Molecular formula: C7H5NO2
Average molar mass: 135.12 g/mol
Monoisotopic mass: 135.0320284

Names & identifiers

Preferred name: 1,3-Benzoxazol-4-ol
IUPAC: 1,3-benzoxazol-4-ol
English name: Benzooxazol-4-ol
Molecular formula: C7H5NO2
Molecular weight: 135.12

Names & synonyms

89590-22-71,3-benzoxazol-4-olDTXSID70547593RefChem:72484DTXCID50498377848-147-7MGQPBXGHGXFKJW-UHFFFAOYSA-Nbenzooxazol-4-olbenzo[d]oxazol-4-ol4-Benzoxazolol4-HydroxybenzoxazoleMFCD06795900

Show more names

1,3-benzenebenzoazole-4-ol1,3-Benzoxazol-4-ol - [B94333]1,3-benzoxazol-4-ol(SALTDATA: FREE)1,3-Benzoxazol-4-ol, 4-Hydroxybenzo[d]oxazole

4-Hydroxy-benzoxazol4-Hydroxy-1,3-benzoxazoleSCHEMBL284929SCHEMBL646093SCHEMBL2005830PDA59022AKOS006292890AS-56797

Database identifiers

CAS: 89590-22-7
PubChem CID: 13720697
DTXSID: DTXSID70547593
EC Number: 848-147-7
Nikkaji: J1.926.249I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 129

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.