5-Methoxy-2-methylbenzoxazole

HCID 79759CAS 5676-57-3

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc2oc(C)nc2c1
InChIKey: WCXSVOWHNXWHRT-UHFFFAOYSA-N
Molecular formula: C9H9NO2
Average molar mass: 163.17 g/mol
Monoisotopic mass: 163.06332853

Names & identifiers

Preferred name: 5-Methoxy-2-methylbenzoxazole
IUPAC: 5-methoxy-2-methyl-1,3-benzoxazole
English name: 5-Methoxy-2-methylbenzodoxazole
Molecular formula: C9H9NO2
Molecular weight: 163.17

Names & synonyms

5-Methoxy-2-methylbenzoxazole5676-57-3EINECS 227-134-4DTXSID40205315RefChem:103029DTXCID40127806227-134-45-methoxy-2-methyl-1,3-benzoxazole5-methoxy-2-methylbenzo[d]oxazoleMFCD001288315-methoxy-2-methyl-benzoxazoleSCHEMBL5228689

Show more names

5-Methoxy-2-methyl-benzooxazole5-Methoxy-2-methylbenzodoxazoleBenzoxazole, 5-methoxy-2-methyl-

5-methyoxy-2-methyl-benzoxazoleSCHEMBL25288200SCHEMBL29447082AC6374AKOS006273003AS-8316AC-16640SY130011

Database identifiers

CAS: 5676-57-3
PubChem CID: 79759
DTXSID: DTXSID40205315
EC Number: 227-134-4
Nikkaji: J24.449J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 32 · 32-34℃ (ethyl ether hexane )
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 318 · H318-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P362+P364
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.