4-Chloro-1H-1,3-benzodiazol-2-amine - CAS 701-14-4

Catalog:	BB034074
Product Name:	4-Chloro-1H-1,3-benzodiazol-2-amine
CAS:	701-14-4
Synonyms:	4-chloro-1H-benzimidazol-2-amine; 4-chloro-1H-benzimidazol-2-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-chloro-1H-benzimidazol-2-amine
Description:	4-Chloro-1H-1,3-benzodiazol-2-amine (CAS# 701-14-4) is a useful research chemical.
Molecular Weight:	167.60
Molecular Formula:	C7H6ClN3
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)N=C(N2)N
InChI:	InChI=1S/C7H6ClN3/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChI Key:	WDGDTHWKGHBYNL-UHFFFAOYSA-N
LogP:	1.72860

Publication Number	Title	Priority Date
KR-20190075322-A	Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof	20171221
EP-3340982-A1	Compounds for treatment of immune and inflammatory disorders	20150826
US-2018201580-A1	Compounds for treatment of immune inflammatory disorders	20150826
WO-2017035408-A1	Compounds for treatment of immune and inflammatory disorders	20150826
US-10807952-B2	Compounds for treatment of immune inflammatory disorders	20150826

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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:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0250249
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.0250249
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8