2-Chloro-5-methylaniline - CAS 95-81-8

Catalog:	BB041850
Product Name:	2-Chloro-5-methylaniline
CAS:	95-81-8
Synonyms:	2-chloro-5-methylaniline; 2-chloro-5-methylaniline

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-methylaniline
Description:	2-Chloro-5-methylaniline (CAS# 95-81-8) is a useful research chemical compound.
Molecular Weight:	141.60
Molecular Formula:	C7H8ClN
Canonical SMILES:	CC1=CC(=C(C=C1)Cl)N
InChI:	InChI=1S/C7H8ClN/c1-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChI Key:	HPSCXFOQUFPEPE-UHFFFAOYSA-N
Boiling Point:	228-230 °C
Density:	1.18 g/cm³
MDL:	MFCD00007674
LogP:	2.81180

Publication Number	Title	Priority Date
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
CN-111196839-A	Thiostrepton derivative and preparation method thereof	20191231
CN-110964084-A	Nosiheptide derivative and preparation method thereof	20191209
CN-110294757-B	Synthetic method and application for preparing C-3-thioimidazopyridine derivative by copper catalysis one-pot method	20190622
WO-2020252205-A1	Inhibitors of integrated stress response pathway	20190612

PMID	Publication Date	Title	Journal
22259503	20120101	N-(2-Chloro-5-methyl-phen-yl)succinamic acid	Acta crystallographica. Section E, Structure reports online
21201108	20080906	2-[(Methyl-sulfan-yl)meth-yl]-1,2-benz-isothia-zol-3(2H)-one 1,1-dioxide	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (93.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.0345270
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.0345270
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5