CAS 7208-05-1 2,4-Dimethyloxazole (HCID 138961)

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Basic information

CAS: 7208-05-1
Standard SMILES: Cc1coc(C)n1
InChIKey: PSOZJOZKEVZLKZ-UHFFFAOYSA-N
Molecular formula: C5H7NO
Average molar mass: 97.12 g/mol
Monoisotopic mass: 97.05276384

Overview

2,4-Dimethyloxazole is an oxazole.

Names & identifiers

Preferred name: 2,4-Dimethyloxazole
IUPAC: 2,4-dimethyl-1,3-oxazole
English name: Dimethyl Oxazole
Molecular formula: C5H7NO
Molecular weight: 97.12

Names & synonyms

2,4-Dimethyloxazole7208-05-12,4-Dimethyl-1,3-oxazoleOxazole, 2,4-dimethyl-G0W5QQT2LDDTXSID60222408RefChem:443788DTXCID20144899679-861-5dimethyl oxazoleMFCD002341242,4-DIMETHYL-OXAZOLE

Show more names

L-lactate anion2,4-Dimethyloxazole>

CHEBI:1956922,4-dimethyl oxazoleAKOS006280508CS-W011337D3766T71266UNII-G0W5QQTUNII-G0W5QQT2LD

Database identifiers

CAS: 7208-05-1
PubChem CID: 138961
DTXSID: DTXSID60222408
ChEBI: CHEBI:195692
UNII: G0W5QQT2LD
EC Number: 679-861-5
Nikkaji: J24.396E

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 65.1

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Boiling Point108.00 °C. @ 760.00 mm Hg

Physicochemical properties

Boiling point: 108 °C · 108°C(lit.)
Density: 0.9352 · 0.9352
refractive index: 1.432 · 1.4320-1.4360
storage temp.: 2 · 2-8°C
form: clear liquid
pka: 2.91 · 2.91±0.10(Predicted)
color: Colorless to Light yellow to Light orange
LogP: 0.991 · 0.991 (est)
FDA UNII: 0 W5QQT2LD · G0W5QQT2LD
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
hs_code: 2934.99.4400
Signal word: Warning
Symbol(GHS): GHS02
hazard_class: 3
packing_group: III
Hazard statements: H226
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501