Cas no 51085-51-9 (2-chloro-4-methylaniline)
2-chloro-4-methylaniline structure
Product Name:2-chloro-4-methylaniline
CAS No:51085-51-9
MF:C7H9Cl2N
MW:178.059059858322
CID:934706
PubChem ID:12406844
Update Time:2025-04-19
2-chloro-4-methylaniline Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-4-methylaniline
- 2-Chlor-4-toluidin
- 2-Chlor-4-toluidin [Czech]
- 2-CHLORO-P-TOLUIDINE
- 4-Amino-3-chlorotoluene
- 4-Methyl-2-chloroaniline
- Benzenamine, 2-chloro-4-methyl-
- CCRIS 2887
- p-Toluidine, 2-chloro-
- 2-CHLORO-4-METHYLANILINE HYDROCHLORIDE
- Benzenamine, 2-chloro-4-methyl-, hydrochloride
- SCHEMBL9514104
- 51085-51-9
-
- Inchi： 1S/C7H8ClN.ClH/c1-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H
- InChI Key： VIKKIUPTGXMFDV-UHFFFAOYSA-N
- SMILES： ClC1C=C(C)C=CC=1N.Cl
Computed Properties
- Exact Mass: 177.0112047g/mol
- Monoisotopic Mass: 177.0112047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 94.9
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
2-chloro-4-methylaniline Related Literature
-
Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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