5-Bromo-2-methylbenzoxazole - CAS 5676-56-2

Catalog:	BB029486
Product Name:	5-Bromo-2-methylbenzoxazole
CAS:	5676-56-2
Synonyms:	5-bromo-2-methyl-1,3-benzoxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2-methyl-1,3-benzoxazole
Description:	5-Bromo-2-methylbenzoxazole (CAS# 5676-56-2) is a useful research chemical.
Molecular Weight:	212.04
Molecular Formula:	C8H6BrNO
Canonical SMILES:	CC1=NC2=C(O1)C=CC(=C2)Br
InChI:	InChI=1S/C8H6BrNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key:	ZBCCSPFGJDVVJB-UHFFFAOYSA-N
Boiling Point:	264.823 °C at 760 mmHg
Purity:	95 %
Density:	1.606 g/cm³
MDL:	MFCD08702771
LogP:	2.89870

Publication Number	Title	Priority Date
WO-2020116971-A1	Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof	20181206
KR-20200068994-A	Compound for inhibiting PDE9A and medical uses thereof	20181206
EP-3892623-A1	Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof	20181206
US-2020032401-A1	Ultraviolet-stabilized corrosion inhibitors	20180725
US-10889901-B2	Ultraviolet-stabilized corrosion inhibitors	20180725

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Related Functional Groups

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2,5,7-Trichlorobenzoxazole
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Benzo[d]oxazole-7-carbaldehyde

Oxazole/Thiazole

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[19749-93-0]
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[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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501
Signal Word:	Danger

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.96328
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9