4-(Chloromethyl)thiazole hydrochloride - CAS 7709-58-2

Catalog:	BB054365
Product Name:	4-(Chloromethyl)thiazole hydrochloride
CAS:	7709-58-2
Synonyms:	4-(chloromethyl)-1,3-thiazole Hydrochloride; 4-(chloromethyl)thiazole HCl

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(chloromethyl)-1,3-thiazole;hydrochloride
Molecular Weight:	170.06
Molecular Formula:	C4H4ClNS.HCl
Canonical SMILES:	C1=C(N=CS1)CCl.Cl
InChI:	InChI=1S/C4H4ClNS.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
InChI Key:	NVTBASMQHFMANH-UHFFFAOYSA-N
Boiling Point:	214.9°C at 760 mmHg
Melting Point:	186-192 °C (dec.)
Purity:	97.0%
Density:	1.338 g/cm3
MDL:	MFCD02094738

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Related Functional Groups

Halides

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Oxazole/Thiazole

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ERRα antagonist-1

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (75%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	59.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.9519757
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.9519757
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0