2-Chloro-6-fluorobenzothiazole - CAS 399-74-6

Catalog:	BB024231
Product Name:	2-Chloro-6-fluorobenzothiazole
CAS:	399-74-6
Synonyms:	2-chloro-6-fluoro-1,3-benzothiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6-fluoro-1,3-benzothiazole
Description:	2-Chloro-6-fluorobenzothiazole (CAS# 399-74-6) is a useful research chemical.
Molecular Weight:	187.62
Molecular Formula:	C7H3ClFNS
Canonical SMILES:	C1=CC2=C(C=C1F)SC(=N2)Cl
InChI:	InChI=1S/C7H3ClFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChI Key:	ISIIQFDYFMPPOA-UHFFFAOYSA-N
Boiling Point:	253 °C at 760 mmHg
Melting Point:	91-95 °C
Purity:	95 %
Density:	1.532 g/cm³
Appearance:	White to yellow powder
MDL:	MFCD04448822
LogP:	3.08880

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[16263-54-0]
3,6-Dichlorobenzo[d]isoxazole
[1225716-41-5]
1-(5-Benzoxazolyl)ethanone
[1326714-98-0]
4-Bromobenzo[d]isothiazole
[101253-50-3]
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one

Fluorinated Building Blocks

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1597-32-6]
2-Amino-6-fluoropyridine
[1795420-51-7]
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

Oxazole/Thiazole

[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[3973-08-8]
4-Thiazolecarboxylic acid
[56355-79-4]
Ethyl 2-(2-bromothiazol-4-yl)acetate
[19749-93-0]
Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate
[54001-12-6]
ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.9658761
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.9658761
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6