2-Amino-6-chlorobenzothiazole - CAS 95-24-9

Catalog:	BB041657
Product Name:	2-Amino-6-chlorobenzothiazole
CAS:	95-24-9
Synonyms:	6-chloro-1,3-benzothiazol-2-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-chloro-1,3-benzothiazol-2-amine
Description:	2-Amino-6-chlorobenzothiazole (CAS# 95-24-9) is a useful research chemical.
Molecular Weight:	184.65
Molecular Formula:	C7H5ClN2S
Canonical SMILES:	C1=CC2=C(C=C1Cl)SC(=N2)N
InChI:	InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChI Key:	VMNXKIDUTPOHPO-UHFFFAOYSA-N
Boiling Point:	344.3 °C at 760 mmHg
Purity:	97 %
Density:	1.532 g/cm³
Appearance:	Off-white to light beige crystalline powder
MDL:	MFCD00053557
LogP:	3.11310

Publication Number	Title	Priority Date
CN-113045993-A	Polishing solution for processing ultra-smooth low-damage bearing steel surface and application thereof	20210325
CN-111978756-A	Method for enhancing alkali resistance and oxidation resistance of benzothiazole disperse dye	20200827
CN-111978756-B	Method for enhancing alkali resistance and oxidation resistance of benzothiazole disperse dye	20200827
KR-20210076879-A	Novel pyrimidine derivatives and use thereof	20191216
WO-2021125803-A1	Novel pyrimidin derivative and use thereof	20191216

PMID	Publication Date	Title	Journal
22412583	20120301	1-(6-Chloro-1,3-benzothia-zol-2-yl)hydrazine	Acta crystallographica. Section E, Structure reports online
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Oxazole/Thiazole

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GHS Hazard Statement:	H302 (100%): 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:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.9861970
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.9861970
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9