5-Methylbenzoxazole - CAS 10531-78-9

Catalog:	BB001607
Product Name:	5-Methylbenzoxazole
CAS:	10531-78-9
Synonyms:	5-methyl-1,3-benzoxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-1,3-benzoxazole
Description:	5-Methylbenzoxazole (CAS# 10531-78-9) is a useful research chemical.
Molecular Weight:	133.15
Molecular Formula:	C8H7NO
Canonical SMILES:	CC1=CC2=C(C=C1)OC=N2
InChI:	InChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)9-5-10-8/h2-5H,1H3
InChI Key:	UBIAVBGIRDRQLD-UHFFFAOYSA-N
Boiling Point:	96 °C / 15 mmHg
Melting Point:	41-44 °C
Purity:	95 %
Density:	1.149 g/cm³
Appearance:	Crystals
MDL:	MFCD00216938
LogP:	2.13620

Publication Number	Title	Priority Date
CN-112812781-A	Bipiperazine benzoxazole-based liquid crystal compound and preparation method thereof	20210121
CN-111607411-A	Difluoromethoxyl liquid crystal compound containing benzoxazole heterocycle, and synthesis method and application thereof	20200617
EP-3882702-A1	Fluorescent white toners and related methods	20200318
EP-3882703-A1	Fluorescent metallic toners and related methods	20200318
WO-2021114315-A1	Use of heterocyclic derivatives with cardiomyocyte proliferation activity for treatment of heart diseases	20191214

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[313402-37-8]
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[1225716-41-5]
1-(5-Benzoxazolyl)ethanone
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[50710-33-3]
5,7-Dichloro-2-(chloromethyl)benzoxazole
[329222-92-6]
Propyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Oxazole/Thiazole

[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
[24043-97-8]
Ethyl 2-(2-thienyl)thiazole-4-carboxylate
[54001-12-6]
ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

GHS Hazard Statement:	H302 (95.45%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.052763847
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2