1,2-Benzisothiazole,3-methyl-5-nitro- supplier

Name
3-METHYL-5-NITROBENZOISOTHIAZOLE
EINECS
CAS No. 35272-19-6
Article Data12
CAS DataBase
Density 1.445 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂S
Boiling Point 260.6 °C at 760 mmHg
Molecular Weight 194.214
Flash Point 111.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-methyl-5-nitro-1,2-benzothiazole;1,2-benzisothiazole, 3-methyl-5-nitro-;5-nitro-3-methyl-1,2-benzisothiazole;
PSA 86.95000
LogP 3.03610

1,2-Benzisothiazole,3-methyl-5-nitro- Specification

The 1,2-Benzisothiazole,3-methyl-5-nitro-, with the CAS registry number 35272-19-6, has the systematic name of 3-methyl-5-nitro-1,2-benzothiazole. It belong to the product category of Pharmacetical, and the molecular formula of the chemical is C₈H₆N₂O₂S.

The characteristics of 1,2-Benzisothiazole,3-methyl-5-nitro- are as followings: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 86.95 Å²; (7)Index of Refraction: 1.7; (8)Molar Refractivity: 51.94 cm³; (9)Molar Volume: 134.3 cm³; (10)Polarizability: 20.59×10^-24cm³; (11)Surface Tension: 65 dyne/cm; (12)Density: 1.445 g/cm³; (13)Flash Point: 111.4 °C; (14)Enthalpy of Vaporization: 47.82 kJ/mol; (15)Boiling Point: 260.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0196 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(snc1C)cc2
(2)InChI: InChI=1/C8H6N2O2S/c1-5-7-4-6(10(11)12)2-3-8(7)13-9-5/h2-4H,1H3
(3)InChIKey: UUOMNUMWKBVHNG-UHFFFAOYAM

Product Name

3-METHYL-5-NITROBENZOISOTHIAZOLE

1,2-Benzisothiazole,3-methyl-5-nitro- Specification

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