Benzenemethanol,2,4,6-trinitro- supplier

Name
2,4,5-TRINITROBENZYL ALCOHOL
EINECS 246-327-4
CAS No. 24577-68-2
Article Data5
CAS DataBase
Density 1.752 g/cm³
Solubility
Melting Point
Formula C₇H₅N₃O₇
Boiling Point 498.29 °C at 760 mmHg
Molecular Weight 243.133
Flash Point 221.912 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzylalcohol, 2,4,6-trinitro- (8CI);2,4,6-Trinitrobenzyl alcohol;
PSA 157.69000
LogP 2.47310

Benzenemethanol,2,4,6-trinitro- Specification

The Benzenemethanol, 2, 4, 6-trinitro-, with the CAS registry number 24577-68-2, is also known as 2, 4, 5-Trinitrobenzyl alcohol. Its EINECS registry number is 246-327-4. This chemical's molecular formula is C₇H₅N₃O₇ and molecular weight is 243.13. What's more, its systematic name is (2, 4, 5-Trinitrophenyl)methanol.

Physical properties about Benzenemethanol, 2, 4, 6-trinitro- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.062; (4)ACD/LogD (pH 7.4): 1.062; (5)ACD/BCF (pH 5.5): 3.778; (6)ACD/BCF (pH 7.4): 3.778; (7)ACD/KOC (pH 5.5): 90.122; (8)ACD/KOC (pH 7.4): 90.122; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 157.69 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 52.341 cm³; (15)Molar Volume: 138.775 cm³; (16)Polarizability: 20.749×10^-24 cm³; (17)Surface Tension: 89.856 dyne/cm; (18)Density: 1.752 g/cm³; (19)Flash Point: 221.912 °C; (20)Enthalpy of Vaporization: 80.713 kJ/mol; (21)Boiling Point: 498.29 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(c(cc(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])CO
(2) InChI: InChI=1/C7H5N3O7/c11-3-4-1-6(9(14)15)7(10(16)17)2-5(4)8(12)13/h1-2,11H,3H2
(3) InChIKey: BPNHTEMKNUBRFW-UHFFFAOYAC

Product Name

2,4,5-TRINITROBENZYL ALCOHOL

Benzenemethanol,2,4,6-trinitro- Specification

Related Products

Hot Products