2-Chloro-4-methylaniline - CAS 615-65-6

Name: 2-Chloro-4-methylaniline
Brand: BOC Sciences
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Catalog:	BB031184
Product Name:	2-Chloro-4-methylaniline
CAS:	615-65-6
Synonyms:	2-chloro-4-methylaniline

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2-chloro-4-methylaniline
Description:	2-Chloro-4-methylaniline (CAS# 615-65-6) is an intermediate used to prepare reverse transcriptase inhibitors of HIV-1.
Molecular Weight:	141.60
Molecular Formula:	C7H8ClN
Canonical SMILES:	CC1=CC(=C(C=C1)N)Cl
InChI:	InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChI Key:	XGYLSRFSXKAYCR-UHFFFAOYSA-N
Boiling Point:	223-225 °C
Melting Point:	7 °C
Purity:	95 %
Density:	1.151 g/cm³
Appearance:	Clear yellow to pale brown liquid
MDL:	MFCD00007666
LogP:	2.81180

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Related Functional Groups

Amines and Anilines

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1250876-38-0]C8H14N4
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]C9H16ClN3
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[17583-40-3]C8H8N2
2-(Methylamino)benzonitrile

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

GHS Hazard Statement:	H302+H312+H332 (86.36%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021074072-A1	Process for the preparation of (2-cyanoethyl (4s)-4-(4-cyano-2-methoxy-phenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridin-3-carboxylate by racemate separation by means of diastereomeric tartaric acid esters	20191017
WO-2021074078-A1	Process for the preparation of 2-cyanoethyl (4s)-4-(4-cyano-2-methoxy-phenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate by resolution of racemates by means of diastereomeric tartaric acid esters	20191017
WO-2021015177-A1	Organic electroluminescent element and electronic device	20190724
EP-3623407-A1	Reactive amine accelerator, reactive resin containing the same and their use	20180914
WO-2020022378-A1	Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device	20180727

PMID	Publication Date	Title	Journal
22412657	20120301	N-(2-Chloro-4-methyl-phen-yl)succinamic acid	Acta crystallographica. Section E, Structure reports online
19213598	20090601	FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
19081287	20090301	Fourier transform infrared and FT-Raman spectra, assignment, ab initio, DFT and normal co-ordinate analysis of 2-chloro-4-methylaniline and 2-chloro-6-methylaniline	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17043032	20061201	Subacute inhalation toxicity of 2-chloro-4-toluidine in rats	Inhalation toxicology

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:	1.9