4-Chloro-N1-methyl-1,2-benzenediamine - CAS 59681-66-2

Catalog:	BB030456
Product Name:	4-Chloro-N1-methyl-1,2-benzenediamine
CAS:	59681-66-2
Synonyms:	4-chloro-N1-methylbenzene-1,2-diamine; 4-chloro-1-N-methylbenzene-1,2-diamine

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-1-N-methylbenzene-1,2-diamine
Description:	4-Chloro-N1-methyl-1,2-benzenediamine (CAS# 59681-66-2) is a useful research chemical compound.
Molecular Weight:	156.61
Molecular Formula:	C7H9ClN2
Canonical SMILES:	CNC1=C(C=C(C=C1)Cl)N
InChI:	InChI=1S/C7H9ClN2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,9H2,1H3
InChI Key:	UVUAKQQNONYKJK-UHFFFAOYSA-N
LogP:	2.61810

Publication Number	Title	Priority Date
WO-2021077351-A1	Method for preparing telmisartan impurity j	20191023
CN-108586354-B	Benzimidazole derivative and preparation method and application thereof	20171229
EP-3162799-A1	Fluoroalkylating agent	20140626
US-10308613-B2	Fluoroalkylating agent	20140626
US-10696640-B2	Fluoroalkylating agent	20140626

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.045426
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	156.045426
Rotatable Bond Count:	1
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3