4-Methoxybenzo(d)oxazole

HCID 22500935CAS 192753-32-5

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cccc2ocnc12
InChIKey: VHCOEXCZDAHYMW-UHFFFAOYSA-N
Molecular formula: C8H7NO2
Average molar mass: 149.15 g/mol
Monoisotopic mass: 149.04767847

Names & identifiers

Preferred name: 4-Methoxybenzo(d)oxazole
IUPAC: 4-methoxy-1,3-benzoxazole
English name: Benzoxazole,4-Methoxy-
Molecular formula: C8H7NO2
Molecular weight: 149.15

Names & synonyms

4-Methoxybenzo[d]oxazole192753-32-54-Methoxybenzo(d)oxazoleRefChem:524725971-114-44-methoxy-1,3-benzoxazole4-MethoxybenzoxazoleBenzoxazole,4-Methoxy-MFCD13176880SCHEMBL645599SCHEMBL940312VHCOEXCZDAHYMW-UHFFFAOYSA-N

Show more names

BS-52043DB-332407CS-0160865D83924F690413

Database identifiers

CAS: 192753-32-5
PubChem CID: 22500935
EC Number: 971-114-4

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 140

Physicochemical properties

Boiling point: 234.3 · 234.3±13.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.09 · 0.09±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.