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Benzene,1-fluoro-3-isocyanato-5-methyl-

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Name

Benzene,1-fluoro-3-isocyanato-5-methyl-

EINECS N/A
CAS No. 200509-15-5 Density 1.105 g/cm3
PSA 29.43000 LogP 2.10140
Solubility at 25 deg C (mg/L): 374.9 Melting Point N/A
Formula C8H6FNO Boiling Point 211.48 °C at 760 mmHg
Molecular Weight 151.1377432 Flash Point 77.176 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 200509-15-5 (Benzene, 1-fluoro-3-isocyanato-5-methyl- (9CI)) Hazard Symbols N/A
Synonyms

1-Fluoro-3-isocyanato-5-methyl-benzene;

 

Benzene,1-fluoro-3-isocyanato-5-methyl- Specification

The Benzene, 1-fluoro-3-isocyanato-5-methyl-, with the CAS registry number 200509-15-5, is also known as Benzene, 1-fluoro-3-isocyanato-5-methyl- (9CI). It belongs to the product category of Halide. This chemical's molecular formula is C8H6FNO and molecular weight is 151.1377432. What's more, its systematic name is 1-Fluoro-3-isocyanato-5-methyl-benzene.

Physical properties about Benzene, 1-fluoro-3-isocyanato-5-methyl- are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.077; (4)ACD/LogD (pH 7.4): 3.077; (5)ACD/BCF (pH 5.5): 128.294; (6)ACD/BCF (pH 7.4): 128.294; (7)ACD/KOC (pH 5.5): 1123.732; (8)ACD/KOC (pH 7.4): 1123.732; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 40.453 cm3; (15)Molar Volume: 136.722 cm3; (16)Polarizability: 16.037×10-24 cm3; (17)Surface Tension: 32.526 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 77.176 °C; (20)Enthalpy of Vaporization: 44.777 kJ/mol; (21)Boiling Point: 211.48 °C at 760 mmHg; (22)Vapour Pressure: 0.182 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(cc(c1)F)N=C=O
(2) InChI: InChI=1/C8H6FNO/c1-6-2-7(9)4-8(3-6)10-5-11/h2-4H,1H3
(3) InChIKey: IRMOGDURIXFFFI-UHFFFAOYAS

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