Cas no 7195-50-8 (Benzene,2-(bromomethyl)-1,3,5-trinitro-)
7195-50-8 structure
Product Name:Benzene,2-(bromomethyl)-1,3,5-trinitro-
CAS No:7195-50-8
MF:C7H4BrN3O6
MW:306.027160644531
CID:548031
PubChem ID:2752983
Update Time:2025-04-19
Benzene,2-(bromomethyl)-1,3,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-(bromomethyl)-1,3,5-trinitro-
- 2-(bromomethyl)-1,3,5-trinitrobenzene
- 2,4,6-TRINITROBENZYL BROMIDE
- 2,3-DIMETHYL-1,3-BUTADIENE
- 2,4,6-Trinitro-benzylbromid
- FT-0725930
- AKOS004907766
- 7195-50-8
- DTXSID30372944
- 2,4,6-TRINITROBENZYLBROMIDE
-
- Inchi： 1S/C7H4BrN3O6/c8-3-5-6(10(14)15)1-4(9(12)13)2-7(5)11(16)17/h1-2H,3H2
- InChI Key： XLOWWYUYNQRCOB-UHFFFAOYSA-N
- SMILES： BrCC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 304.92800
- Monoisotopic Mass: 304.928
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 310
- 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: 1.8
- Topological Polar Surface Area: 138?2
Experimental Properties
- Density: 1.981
- Boiling Point: 389.7°C at 760 mmHg
- Flash Point: 189.5°C
- Refractive Index: 1.682
- PSA: 137.46000
- LogP: 3.87570
Benzene,2-(bromomethyl)-1,3,5-trinitro- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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