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

Name
2-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE
EINECS
CAS No. 175205-35-3
Density 1.59 g/cm³
Solubility
Melting Point
Formula C₇H₃BrFNS
Boiling Point 286.2 °C at 760 mmHg
Molecular Weight 232.076
Flash Point 126.9 °C
Transport Information
Appearance
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)
PSA 44.45000
LogP 3.32250

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

Product Name

2-BROMO-4-FLUOROPHENYL ISOTHIOCYANATE

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

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