6-Nitro-1,3-benzoxazole supplier

Name
6-Nitro-1,3-benzoxazole
EINECS 200-258-5
CAS No. 17200-30-5
Article Data8
CAS DataBase
Density 1.473g/cm³
Solubility
Melting Point 150-152°C
Formula C₇H₄N₂O₃
Boiling Point 294.2 °C at 760 mmHg
Molecular Weight 164.12
Flash Point 131.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-NITRO BENZOXAZOLONE;6-NITRO-1,3-BENZOXAZOLE;6-Nitrobenzo[d]oxazole;6-Nitro-benzooxazole;6-Nitrobenzoxazole
PSA 71.85000
LogP 2.25920

6-Nitro-1,3-benzoxazole Specification

The 6-Nitro-1,3-benzoxazole, with CAS registry number 17200-30-5, has the systematic name of 6-nitro-1,3-benzoxazole. Besides this, it is also called 6-Nitro benzoxazolone. Its molecular weight is 164.12. And the chemical formula of this chemical is C₇H₄N₂O₃.

Physical properties of 6-Nitro-1,3-benzoxazole: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.93; (6)ACD/BCF (pH 7.4): 5.93; (7)ACD/KOC (pH 5.5): 124.48; (8)ACD/KOC (pH 7.4): 124.48; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.85 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 41.03 cm³; (15)Molar Volume: 111.4 cm³; (16)Polarizability: 16.26×10^-24cm³; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.473 g/cm³; (19)Flash Point: 131.7 °C; (20)Enthalpy of Vaporization: 51.24 kJ/mol; (21)Boiling Point: 294.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0029 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2ncoc2c1
(2)InChI: InChI=1/C7H4N2O3/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
(3)InChIKey: NNESGHWUVLNAML-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H4N2O3/c10-9(11)5-1-2-6-7(3-5)12-4-8-6/h1-4H
(5)Std. InChIKey: NNESGHWUVLNAML-UHFFFAOYSA-N

Product Name

6-Nitro-1,3-benzoxazole

6-Nitro-1,3-benzoxazole Specification

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