Basic Information | Post buying leads | Suppliers |
Name |
Benzene, 1-bromo-4-fluoro-2-isothiocyanato- |
EINECS | N/A |
CAS No. | 175205-35-3 | Density | 1.59 g/cm3 |
PSA | 44.45000 | LogP | 3.32250 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3BrFNS | Boiling Point | 286.2 °C at 760 mmHg |
Molecular Weight | 232.076 | Flash Point | 126.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36 | Risk Codes |
T:Toxic/Stench; |
Molecular Structure | Hazard Symbols | R20/21/22:; | |
Synonyms |
2-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE;Benzene, 1-bromo-4-fluoro-2-isothiocyanato- (9CI) |
This chemical is called Benzene, 1-bromo-4-fluoro-2-isothiocyanato-, and its systematic name is 1-bromo-4-fluoro-2-isothiocyanatobenzene. With the molecular formula of C7H3BrFNS, its product categories are Isothiocyanate; Phenyl isocyanate & Phenyl isothiocyanate. The CAS registry number of this chemical is 175205-35-3. In addition, this chemical should be sealed in the cool and dry place, away from oxides, water, alcohol and amine.
Other characteristics of the Benzene, 1-bromo-4-fluoro-2-isothiocyanato- can be summarised as followings: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 44.45 Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 50.06 cm3; (9)Molar Volume: 145.4 cm3; (10)Polarizability: 19.84×10-24cm3; (11)Surface Tension: 38.3 dyne/cm; (12)Density: 1.59 g/cm3; (13)Flash Point: 126.9 °C; (14)Enthalpy of Vaporization: 50.42 kJ/mol; (15)Boiling Point: 286.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00462 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(F)cc1/N=C=S
2.InChI: InChI=1/C7H3BrFNS/c8-6-2-1-5(9)3-7(6)10-4-11/h1-3H
3.InChIKey: LPYALAIWRFVCHN-UHFFFAOYAX