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Benzene, 1-bromo-4-fluoro-2-isothiocyanato-

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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 Molecular Structure of 175205-35-3 (2-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE) Hazard Symbols R20/21/22:;
Synonyms

2-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE;Benzene, 1-bromo-4-fluoro-2-isothiocyanato- (9CI)

 

Benzene, 1-bromo-4-fluoro-2-isothiocyanato- Specification

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

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