2,5-Dimethylbenzoxazole - CAS 5676-58-4

Catalog:	BB029489
Product Name:	2,5-Dimethylbenzoxazole
CAS:	5676-58-4
Synonyms:	2,5-dimethyl-1,3-benzoxazole; 2,5-dimethyl-1,3-benzoxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethyl-1,3-benzoxazole
Description:	2,5-Dimethylbenzoxazole (CAS# 5676-58-4) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=N2)C
InChI:	InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3
InChI Key:	XVQGFGKAPKEUFT-UHFFFAOYSA-N
Boiling Point:	218-219 °C
Density:	1.09 g/cm³
MDL:	MFCD00005773
LogP:	2.44460

Publication Number	Title	Priority Date
CN-113046194-A	Efficient cleaning agent for glass cups	20210318
WO-2021115375-A1	Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof	20191211
US-2021159412-A1	Heterocyclic compound and organic light-emitting device including the same	20191121
WO-2021064142-A1	Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer	20191002
US-2021095196-A1	Organic electroluminescent materials and devices	20190926

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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
[70785-26-1]
N-(4-methylphenyl)benzothiazol-2-amine
[55202-46-5]
5,7-Dichloro-2-methylbenzoxazole
[858635-83-3]
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5