Cas no 29595-61-7 (Benzene,trichloronitro- (8CI,9CI))
29595-61-7 structure
Product Name:Benzene,trichloronitro- (8CI,9CI)
CAS No:29595-61-7
MF:C6H2Cl3NO2
MW:226.444578647614
CID:268137
PubChem ID:28697
Update Time:2025-04-19
Benzene,trichloronitro- (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,trichloronitro- (8CI,9CI)
- Trichloronitrobenzene
- 1,2,3-Trichloro-4-nitrobenzene
- SMR001224480
- 339A4728AK
- MFCD00007063
- NCGC00091260-02
- 2,3,4-Trichloro-1-nitrobenzene
- T1197
- EN300-185712
- NSC-91490
- Benzene, 4-nitro-1,2,3-trichloro-
- NCGC00258224-01
- BRN 2211951
- TRICHLORONITROBENZENE, 2,3,4-
- 2,4-Trichloro-1-nitrobenzene
- 1,2,3-tris(chloranyl)-4-nitro-benzene
- Q27256251
- CHEMBL354330
- 1,2,3-Trichloro-4-nitrobenzene, 97%
- NSC91490
- NS00025831
- CAS-17700-09-3
- 2,3,4-trichloronitro-benzene
- DTXSID0026202
- SCHEMBL278488
- UNII-339A4728AK
- Tox21_200670
- NSC 91490
- 2,3,4-TRICHLORONITROBENZENE
- 2,4-Trichloronitrobenzene
- Benzene,2,3-trichloro-4-nitro-
- 2,3,4-trichloro-nitro-benzene
- 1,2,3-Trichloro-4-nitrobenzene; 2,3,4-Trichloro-1-nitrobenzene; 2,3,4-Trichloronitrobenzene; NSC 91490
- 17700-09-3
- AKOS015890182
- EINECS 241-705-5
- cid_28697
- DTXCID806202
- 1-Nitro-2,3,4-trichlorobenzene
- 1,2,3-Trichloro-4-nitro-benzene
- W-107833
- CS-0157190
- BDBM74251
- InChI=1/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2
- A812229
- FT-0609375
- MLS002152856
- AMY8657
- AC-26229
- Benzene, 1,2,3-trichloro-4-nitro-
- 29595-61-7
- EINECS 249-716-7
- 2-05-00-00186 (Beilstein Handbook Reference)
- 1,2,3-Trichloronitrobenzene
- 4-Nitro-1,2,3-trichlorobenzene
- NCGC00091260-01
-
- Inchi： 1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
- InChI Key： BGKIECJVXXHLDP-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1[N+](=O)[O-])Cl)Cl
Computed Properties
- Exact Mass: 224.91526
- Monoisotopic Mass: 224.915111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- 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: 3.6
- Topological Polar Surface Area: 45.8
Experimental Properties
- Melting Point: 131 to 133 °F (NTP, 1992)
- PSA: 43.14
Benzene,trichloronitro- (8CI,9CI) Related Literature
-
1. Electrophilic aromatic substitution. Part 33. Kinetics and products of aromatic nitrations in solutions of dinitrogen pentaoxide in nitric acidRoy B. Moodie,R. John Stephens J. Chem. Soc. Perkin Trans. 2 1987 1059
-
2. Electron spin resonance studies of free-radical reactions in photolysed solutions of chloronitrobenzenesD. J. Cowley,L. H. Sutcliffe J. Chem. Soc. B 1970 569
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