4-Bromo-2-(trifluoromethyl)phenyl isocyanate supplier

Name
4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
EINECS
CAS No. 41513-02-4
Article Data6
CAS DataBase
Density 1.64 g/cm³
Solubility
Melting Point
Formula C₈H₃BrF₃NO
Boiling Point 235.6 °C at 760 mmHg
Molecular Weight 266.017
Flash Point 96.3 °C
Transport Information UN 2206
Appearance
Safety 26-36
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
PSA 29.43000
LogP 3.43520

4-Bromo-2-(trifluoromethyl)phenyl isocyanate Specification

The 4-Bromo-2-(trifluoromethyl)phenyl isocyanate has CAS registry number 41513-02-4. Its molecular formula is C₈H₃BrF₃NO and molecular weight is 266.01. What's more, its systematic name is 4-Bromo-1-isocyanato-2-(trifluoromethyl)benzene.

Physical properties about the 4-Bromo-2-(trifluoromethyl)phenyl isocyanate are: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.43 Å²; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 48.46 cm³; (9)Molar Volume: 161.4 cm³; (10)Surface Tension: 34.9 dyne/cm; (11)Density: 1.64 g/cm³; (12)Flash Point: 96.3 °C; (13)Enthalpy of Vaporization: 47.23 kJ/mol; (14)Boiling Point: 235.6 °C at 760 mmHg; (15)Vapour Pressure: 0.0497 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(\N=C=O)cc1)C(F)(F)F
(2) InChI: InChI=1/C8H3BrF3NO/c9-5-1-2-7(13-4-14)6(3-5)8(10,11)12/h1-3H
(3) InChIKey: UZFHKVBCBXPKKE-UHFFFAOYAJ

Product Name

4-BROMO-2-(TRIFLUOROMETHYL)PHENYL ISOCYANATE

4-Bromo-2-(trifluoromethyl)phenyl isocyanate Specification

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