6-Bromo-2-chlorobenzothiazole - CAS 80945-86-4

Name: 6-Bromo-2-chlorobenzothiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036592
Product Name:	6-Bromo-2-chlorobenzothiazole
CAS:	80945-86-4
Synonyms:	6-bromo-2-chloro-1,3-benzothiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-bromo-2-chloro-1,3-benzothiazole
Description:	6-Bromo-2-chlorobenzothiazole (CAS# 80945-86-4) is a useful research chemical.
Molecular Weight:	248.53
Molecular Formula:	C7H3BrClNS
Canonical SMILES:	C1=CC2=C(C=C1Br)SC(=N2)Cl
InChI:	InChI=1S/C7H3BrClNS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChI Key:	IJQSMNIZBBEBKI-UHFFFAOYSA-N
Boiling Point:	309.2 °C at 760 mmHg
Melting Point:	99-103 °C
Purity:	97 %
Density:	1.849 g/cm³
Solubility:	Other solvents(Soluble) : Toluene
MDL:	MFCD04971822
LogP:	3.71220

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[16263-54-0]C7H3Cl2NO
3,6-Dichlorobenzo[d]isoxazole
[87874-18-8]C12H8N2O2S
N-(Benzo[d]thiazol-2-yl)furan-2-carboxamide
[50710-33-3]C8H4Cl3NO
5,7-Dichloro-2-(chloromethyl)benzoxazole
[1035840-42-6]C12H12N2O2
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
[858635-83-3]C9H6BrNO3S
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one

Oxazole/Thiazole

[120740-06-9]C5H7ClN2S
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[3973-08-8]C4H3NO2S
4-Thiazolecarboxylic acid
[852227-91-9]C11H13ClN2O
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[262857-90-9]C10H12N2O2
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[19749-93-0]C9H11ClN2O3S
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[24043-97-8]C10H9NO2S2
Ethyl 2-(2-thienyl)thiazole-4-carboxylate

GHS Hazard Statement:	H301 (86.67%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113149978-A	Intermediate compound, preparation method and application thereof	20210204
CN-112390793-A	CDK6/DYRK2 double-target inhibitor and preparation method and application thereof	20210119
CN-112390793-B	CDK6/DYRK2 double-target inhibitor and preparation method and application thereof	20210119
CN-111349090-A	Fused heterocyclic aromatic hydrocarbon derivative, preparation and application thereof	20200109
CN-111349090-B	Fused heterocyclic aromatic hydrocarbon derivative, preparation and application thereof	20200109

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.88581
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.88581
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2