Cas no 54686-91-8 (Benzenamine, trichloro-)
Benzenamine, trichloro- structure
Product Name:Benzenamine, trichloro-
CAS No:54686-91-8
MF:C6H4Cl3N
MW:196.461658477783
CID:353925
PubChem ID:12464
Update Time:2025-04-19
Benzenamine, trichloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, trichloro-
- 2,3,4-trichloroaniline
- Benzenamine,3,4-trichloro-
- EINECS 211-215-6
- A868129
- 2,4-Trichloroaniline
- NSC 89297
- FT-0609372
- MFCD00042819
- NSC89297
- DTXSID2022098
- InChI=1/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H
- SCHEMBL174757
- Benzenamine, 2,3,4-trichloro-
- 54686-91-8
- 84PW2M8B8C
- NSC-89297
- T0798
- AMY14581
- Q27269540
- 1-AMINO-2,3,4-TRICHLOROBENZENE
- Aniline, 2,3,4-trichloro-
- NS00010161
- CCRIS 2397
- Aniline,3,4-trichloro-
- F8889-9284
- AKOS015912718
- CS-0311927
- 634-67-3
- AS-18463
- 2,3,4-trichlorobenzenamine
- UNII-84PW2M8B8C
-
- Inchi： 1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
- InChI Key： RRJUYQOFOMFVQS-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1N)Cl)Cl
Computed Properties
- Exact Mass: 194.94112
- Monoisotopic Mass: 194.940932
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 120
- 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: 3.7
- Topological Polar Surface Area: 26
Experimental Properties
- Melting Point: 73.0 °C
- Boiling Point: 292.0 °C
- PSA: 26.02
Benzenamine, trichloro- Related Literature
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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