Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
1-Fluoro-3-isocyanato-5-methyl-benzene; |
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