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95-69-2 | 4-Chloro-2-Methylaniline
CAS No: 95-69-2 Catalog No: AG0033ZA MDL No:MFCD00007842
Product Description
Catalog Number:
AG0033ZA
Chemical Name:
4-Chloro-2-Methylaniline
CAS Number:
95-69-2
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
MDL Number:
MFCD00007842
IUPAC Name:
4-chloro-2-methylaniline
InChI:
InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChI Key:
CXNVOWPRHWWCQR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)N
EC Number:
202-441-6
UNII:
95NB978426
NSC Number:
4979
RTECS Number:
XU5000000
UN Number:
2239
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.598g/mol
Monoisotopic Mass:
141.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| N-(4-Chloro-2-methyl-phen-yl)maleamic acid. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Vibrational spectroscopy [FTIR and FTRaman] investigation, computed vibrational frequency analysis and IR intensity and Raman activity peak resemblance analysis on 4-chloro 2-methylaniline using HF and DFT [LSDA, B3LYP and B3PW91] calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110301 |
| p-Chloro-o-toluidine and its hydrochloride. | Report on carcinogens : carcinogen profiles 20110101 |
| [Determination of chlordimeform and its metabolite residues in honey using liquid chromatography-tandem mass spectrometry]. | Se pu = Chinese journal of chromatography 20100701 |
| Bladder cancer among hairdressers: a meta-analysis. | Occupational and environmental medicine 20100501 |
| Determination of dichloroanilines in human urine by gas chromatography/mass spectrometry: validation protocol and establishment of Reference Values in a population group living in central Italy. | Rapid communications in mass spectrometry : RCM 20060101 |
| p-Chloro-o-toluidine and p-chloro-o-toluidine hydrochloride. | Report on carcinogens : carcinogen profiles 20040101 |
| [Aromatic amines with certain, probable, or possible carcinogenic action: reference values]. | Giornale italiano di medicina del lavoro ed ergonomia 20030101 |
| Comparative investigation of multiple organs of mice and rats in the comet assay. | Mutation research 20020527 |
| Antimycobacterial activity of 5-arylidene aromatic derivatives of hydantoin. | Farmaco (Societa chimica italiana : 1989) 20020501 |
| Capillary gas chromatography with mass spectrometric and atomic emission detection for characterization and monitoring chlordimeform degradation in honey. | Journal of chromatography. A 20020208 |
| p-Chloro-o-toluidine and p-chloro-o-toluidine hydrochloride. | Report on carcinogens : carcinogen profiles 20020101 |
| Determination of dichloroanilines in human urine by GC-MS, GC-MS-MS, and GC-ECD as markers of low-level pesticide exposure. | Journal of chromatography. B, Biomedical sciences and applications 20010505 |
| Induction of xenobiotic biotransformation by the insecticide chlordimeform, a metabolite 4-chloro-o-toluidine and a structurally related chemical o-toluidine. | Biochemical pharmacology 19880701 |
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