5-Mesyl-6-nitrobenzoxazol-2(3H)-one supplier

Name
5-METHANESULFONYL-6-NITRO-3H-BENZOOXAZOL-2-ONE
EINECS 250-795-5
CAS No. 31770-95-3
Density 1.658 g/cm³
Solubility
Melting Point 264 °C (decomp)
Formula C₈H₆N₂O₆S
Boiling Point
Molecular Weight 258.211
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Benzoxazolinone,5-(methylsulfonyl)-6-nitro- (8CI);
PSA 134.34000
LogP 2.03680

5-Mesyl-6-nitrobenzoxazol-2(3H)-one Specification

The 5-Mesyl-6-nitrobenzoxazol-2(3H)-one, with the CAS registry number 31770-95-3, is also known as 2(3H)-Benzoxazolone, 5-(methylsulfonyl)-6-nitro-. Its EINECS registry number is 250-795-5. This chemical's molecular formula is C₈H₆N₂O₆S and molecular weight is 258.21. Its IUPAC name is called 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one.

Physical properties of 5-Mesyl-6-nitrobenzoxazol-2(3H)-one: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.51; (4)ACD/LogD (pH 7.4): -1.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.1; (8)ACD/KOC (pH 7.4): 1.95; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.614; (13)Molar Refractivity: 54.31 cm³; (14)Molar Volume: 155.7 cm³; (15)Surface Tension: 64.4 dyne/cm; (16)Density: 1.658 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=C(C=C2C(=C1)NC(=O)O2)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H6N2O6S/c1-17(14,15)7-2-4-6(16-8(11)9-4)3-5(7)10(12)13/h2-3H,1H3,(H,9,11)
(3)InChIKey: MVPPGNRJNZBDAK-UHFFFAOYSA-N

Product Name

5-METHANESULFONYL-6-NITRO-3H-BENZOOXAZOL-2-ONE

5-Mesyl-6-nitrobenzoxazol-2(3H)-one Specification

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