2-Bromo-5,6-dihydro-4H-cyclopenta[d]thiazole - CAS 1080642-17-6

Catalog:	BB054676
Product Name:	2-Bromo-5,6-dihydro-4H-cyclopenta[d]thiazole
CAS:	1080642-17-6
Synonyms:	2-Bromo-4H,5H,6H-cyclopenta[d][1,3]thiazole; 4H-Cyclopentathiazole, 2-bromo-5,6-dihydro-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-bromo-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
Molecular Weight:	204.09
Molecular Formula:	C6H6BrNS
Canonical SMILES:	C1CC2=C(C1)SC(=N2)Br
InChI:	InChI=1S/C6H6BrNS/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2
InChI Key:	DMQBHCRIFUDQMJ-UHFFFAOYSA-N
Boiling Point:	258.3±9.0°C (Predicted)
Purity:	≥95%
Density:	1.738±0.06 g/cm3 (Predicted)

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Related Functional Groups

Halides

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[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane

Oxazole/Thiazole

[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1018165-66-6]
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[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[132089-38-4]
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate
[132089-32-8]
Ethyl 2-(4-methylphenyl)-thiazole-4-carboxylate
[1431962-17-2]
Ethyl 2-(cyclopentylamino)-4-methylthiazole-5-carboxylate hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.94043
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.94043
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7