Cas no 84029-42-5 (Benzene,1-methyl-2,?-dinitro- (9CI))
84029-42-5 structure
Product Name:Benzene,1-methyl-2,?-dinitro- (9CI)
Benzene,1-methyl-2,?-dinitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-methyl-2,?-dinitro- (9CI)
- 2,-dinitrotoluene
- 6-Methyl-1,3-dinitrobenzene
- AKOS003273098
- 2,4-Dinitrotoluol
- 2,4-Dinitrotoluene, practical grade
- 2,4-DINITROTOLUENE [IARC]
- 2,4-Dinitrotoluene, certified reference material, TraceCERT(R)
- 1326-41-6
- NSC 7194
- NCGC00254317-01
- CAS-121-14-2
- RCRA waste no. U105
- D0856
- HSDB 1144
- NS00009261
- 121-14-2
- InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H
- DINITRO-1-METHYLBENZENE, 2,4-
- C91637
- Q416626
- Dinitrotoluol
- CHEMBL259865
- NCGC00091755-03
- Tox21_300493
- 2,4-Dinitro-1-methylbenzene
- SCHEMBL48806
- NCGC00091755-04
- Benzene, 1-methyl-2,4-dinitro-, sulfurized
- CCRIS 268
- EINECS 281-716-2
- 2,4-Dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene)
- MFCD00007172
- NCGC00091755-01
- 84029-42-5
- 2,4-Dinitrotoluene 100 microg/mL in Acetonitrile
- 4-Methyl-1,3-dinitrobenzene
- 2,4-Dinitrotoluene, 97%
- RCRA waste number U105
- 2,4-DINITROTOLUENE [HSDB]
- FT-0608046
- EN300-19638
- CHEBI:920
- Toluene, 2,4-dinitro-
- 2,4-Dinitrotoluene, analytical standard
- 2,4-dinitro-toluene
- AI3-15342
- Benzene,methyldinitro-
- WLN: WNR B1 ENW
- Tox21_201784
- AE-562/40879347
- 6741D310ED
- DTXCID60529
- 2,4-Dinitromethylbenzene
- NCI-C01865
- SGCUT00009
- 2,4-DNT
- EINECS 215-422-2
- UNII-6741D310ED
- NCGC00259333-01
- to_000001
- NSC7194
- DNT
- 2,4-DINITROTOLUENE
- NSC-7194
- DTXSID0020529
- Benzene, 1-methyl-2,4-dinitro-
- FT-0610215
- 1-Methyl-2,4-dinitrobenzene
- EINECS 204-450-0
- 2,4-Dinitrotoluene (containing 0.5% 2,6-dinitrotoluene)
- 2,4-Dinitrotoluene 1000 microg/mL in Methanol
- Q-200190
- NCGC00091755-02
-
- Inchi： 1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
- InChI Key： RMBFBMJGBANMMK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 182.03275668g/mol
- Monoisotopic Mass: 182.03275668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 2
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Density: 6.27 (NTP, 1992) (Relative to Air)
- Melting Point: 153 to 158 °F (NTP, 1992)
- Boiling Point: 572 °F at 760 mm Hg (Decomposes) (NTP, 1992)
- Flash Point: 405 °F (NTP, 1992)
- Refractive Index: Index of refraction: 1.442
- LogP: log Kow = 1.98
Benzene,1-methyl-2,?-dinitro- (9CI) Related Literature
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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