Cas no 43171-59-1 (1,3-Benzenediamine,4-chloro-2-methyl-)
43171-59-1 structure
Product Name:1,3-Benzenediamine,4-chloro-2-methyl-
CAS No:43171-59-1
MF:C7H9ClN2
MW:156.612760305405
CID:333154
PubChem ID:93243
Update Time:2025-04-19
1,3-Benzenediamine,4-chloro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine,4-chloro-2-methyl-
- 4-chloro-2-methylbenzene-1,3-diamine
- DTXSID30962945
- 43171-59-1
-
- Inchi： 1S/C7H9ClN2/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,9-10H2,1H3
- InChI Key： YVNQCASJZRKYQY-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(C)=C1N)N
Computed Properties
- Exact Mass: 156.045
- Monoisotopic Mass: 156.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.281
- Boiling Point: 305.5°C at 760 mmHg
- Flash Point: 138.5°C
- Refractive Index: 1.647
1,3-Benzenediamine,4-chloro-2-methyl- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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