2-Methyl-1,3-benzoxazol-6-ol

HCID 676504

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Basic information

CAS: 5078-07-9
Standard SMILES: Cc1nc2ccc(O)cc2o1
InChIKey: RZKJWYDRDBVDJJ-UHFFFAOYSA-N
Molecular formula: C8H7NO2
Average molar mass: 149.15 g/mol
Monoisotopic mass: 149.04767846

Names & identifiers

Preferred name: 2-Methyl-1,3-benzoxazol-6-ol
IUPAC: 2-methyl-1,3-benzoxazol-6-ol
English name: 6-Hydroxy-2-methylbenzoxazole
Molecular formula: C8H7NO2
Molecular weight: 149.15

Names & synonyms

2-methyl-1,3-benzoxazol-6-olRefChem:474769804-894-02-methylbenzo[d]oxazol-6-ol5078-07-96-HYDROXY-2-METHYLBENZOXAZOLEMFCD004648622-methyl-6-hydroxybenzoxazole2-methylbenzoxazol-6-ol2-methyl-benzooxazol-6-ol6-Benzoxazolol, 2-methyl-2-methyl-benzoxazol-6-ol

Show more names

2-methyl-1,3-benzoxazol-6-ol(SALTDATA: FREE)

methyl-1,3-benzoxazol-6-olorb3144235SCHEMBL1655934SCHEMBL1655937DTXSID30350303RZKJWYDRDBVDJJ-UHFFFAOYSA-NHMS1577P06ALBB-025448

Database identifiers

CAS: 5078-07-9
PubChem CID: 676504
DTXSID: DTXSID30350303
EC Number: 804-894-0
Nikkaji: J680.480B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Melting point: 196 °C · 196 °C
Boiling point: 278.7 · 278.7±13.0 °C(Predicted)
Density: 1.305 · 1.305
storage temp.: 2 · 2-8°C
pka: 8.49 · 8.49±0.40(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362