Benzoicacid, 4-cyano-2-(trifluoromethyl)- supplier

Name
BENZOIC ACID, 4-CYANO-2-(TRIFLUOROMETHYL)-
EINECS
CAS No. 267242-09-1
Article Data2
CAS DataBase
Density 1.504 g/cm³
Solubility
Melting Point
Formula C₉H₄F₃NO₂
Boiling Point 318.909 °C at 760 mmHg
Molecular Weight 215.131
Flash Point 146.671 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyano-2-(trifluoromethyl)benzoic acid;
PSA 61.09000
LogP 2.27528

Benzoicacid, 4-cyano-2-(trifluoromethyl)- Specification

This product is an organic compound with the formula C₉H₄F₃NO₂. The systematic name of this chemical is Benzoicacid, 4-cyano-2-(trifluoromethyl)-. With the CAS registry number 267242-09-1, it is also named as 4-Cyano-2-(trifluoromethyl)benzoic acid. In addition, the molecular weight is 215.13.

Physical properties of Benzoicacid, 4-cyano-2-(trifluoromethyl)- are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 61.09 Å²; (11)Index of Refraction: 1.507; (12)Molar Refractivity: 42.586 cm³; (13)Molar Volume: 143.031 cm³; (14)Polarizability: 16.883×10^-24cm³; (15)Surface Tension: 47.491 dyne/cm; (16)Density: 1.504 g/cm³; (17)Flash Point: 146.671 °C; (18)Enthalpy of Vaporization: 59.168 kJ/mol; (19)Boiling Point: 318.909 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1C#N)C(F)(F)F)C(=O)O
(2)InChI: InChI=1/C9H4F3NO2/c10-9(11,12)7-3-5(4-13)1-2-6(7)8(14)15/h1-3H,(H,14,15)
(3)InChIKey: GRUPENLXDNWNIV-UHFFFAOYSA-N

Product Name

BENZOIC ACID, 4-CYANO-2-(TRIFLUOROMETHYL)-

Benzoicacid, 4-cyano-2-(trifluoromethyl)- Specification

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