2-Bromo-5-nitrothiazole - CAS 3034-48-8

Catalog:	BB020561
Product Name:	2-Bromo-5-nitrothiazole
CAS:	3034-48-8
Synonyms:	2-bromo-5-nitro-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-5-nitro-1,3-thiazole
Description:	2-Bromo-5-nitrothiazole (CAS# 3034-48-8) is a useful research chemical.
Molecular Weight:	209.02
Molecular Formula:	C3HBrN2O2S
Canonical SMILES:	C1=C(SC(=N1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H
InChI Key:	ANIJFZVZXZQFDH-UHFFFAOYSA-N
Boiling Point:	289.7 ℃ at 760 mmHg
Melting Point:	84-88 ℃
Purity:	95 %
Density:	2.086 g/cm³
Appearance:	Slightly brown powder.
MDL:	MFCD00005317
LogP:	2.33700

Publication Number	Title	Priority Date
CN-112244031-A	Application of thiothiadiazole-containing nitrothiazole compound in prevention and treatment of agricultural plant diseases	20201023
CN-113491692-A	Application of C-JUN N-terminal kinase inhibitor SU3327	20200729
CN-113072546-A	Five-membered heteroaromatic derivative and preparation method and application thereof	20200106
WO-2020264176-A1	Urea derivatives as cb1 allosteric modulators	20190628
WO-2020054484-A1	Modified multi-component copolymer, rubber composition, resin composition, tire and resin product	20180914

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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:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.89421
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.89421
Rotatable Bond Count:	0
Topological Polar Surface Area:	87 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2