Benzene,1-methyl-2,3,5-trinitro- supplier

Name
2,3,5-TRINITROTOLUENE
EINECS
CAS No. 609-74-5
Density 1.608 g/cm³
Solubility
Melting Point
Formula C₇H₅N₃O₆
Boiling Point 405.2 °C at 760 mmHg
Molecular Weight 227.133
Flash Point 213.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-2,3,5-trinitrobenzene;2,3,5-Trinitrotoluene;
PSA 137.46000
LogP 3.28920

Benzene,1-methyl-2,3,5-trinitro- Specification

The Benzene, 1-methyl-2, 3, 5-trinitro-, with the CAS registry number 609-74-5, is also known as 2, 3, 5-Trinitrotoluene. This chemical's molecular formula is C₇H₅N₃O₆ and molecular weight is 227.13. What's more, its IUPAC name is 1-methyl-2, 3, 5-trinitrobenzene.

Physical properties about Benzene, 1-methyl-2, 3, 5-trinitro- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.63; (6)ACD/BCF (pH 7.4): 10.63; (7)ACD/KOC (pH 5.5): 188.98; (8)ACD/KOC (pH 7.4): 188.98; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 137.46 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 50.71 cm³; (15)Molar Volume: 141.2 cm³; (16)Polarizability: 20.1×10^-24 cm³; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.608 g/cm³; (19)Flash Point: 213.5 °C; (20)Enthalpy of Vaporization: 63.12 kJ/mol; (21)Boiling Point: 405.2 °C at 760 mmHg; (22)Vapour Pressure: 2.08E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(cc(cc1C)[N+]([O-])=O)[N+]([O-])=O
(2) InChI: InChI=1/C7H5N3O6/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)10(15)16/h2-3H,1H3
(3) InChIKey: DGSCKRLVSINLST-UHFFFAOYAS

Product Name

2,3,5-TRINITROTOLUENE

Benzene,1-methyl-2,3,5-trinitro- Specification

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