-
Name
(Z)-3-[3-(trifluoromethyl)phenyl]acrylonitrile
- EINECS 261-153-9
- CAS No. 58177-61-0
- Density 1.253 g/cm3
- Solubility
- Melting Point
- Formula C10H6F3N
- Boiling Point 259.8 °C at 760 mmHg
- Molecular Weight 197.16
- Flash Point 111 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms (2Z)-3-[3-(Trifluoromethyl)phenyl]acrylonitrile;
- PSA 23.79000
- LogP 3.24218
2-Propenenitrile,3-[3-(trifluoromethyl)phenyl]-, (Z)- (9CI) Specification
The 2-Propenenitrile,3-[3-(trifluoromethyl)phenyl]-, (Z)- (9CI), with the CAS registry number 58177-61-0, is also known as (2Z)-3-[3-(Trifluoromethyl)phenyl]acrylonitrile. Its EINECS number is 261-153-9. This chemical's molecular formula is C10H6F3N and molecular weight is 197.16. What's more, its IUPAC name is (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Physical properties of 2-Propenenitrile,3-[3-(trifluoromethyl)phenyl]-, (Z)- (9CI) are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.58; (6)ACD/BCF (pH 7.4): 153.58; (7)ACD/KOC (pH 5.5): 1278.14; (8)ACD/KOC (pH 7.4): 1278.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 47.03 cm3; (15)Molar Volume: 157.3 cm3; (16)Polarizability: 18.64×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.253 g/cm3; (19)Flash Point: 111 °C; (20)Enthalpy of Vaporization: 49.75 kJ/mol; (21)Boiling Point: 259.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(\C=C/C#N)c1
(2)Std. InChI: InChI=1S/C10H6F3N/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-5,7H/b4-2
(3)Std. InChIKey: AQKTWIMZLCJHDR-RQOWECAXSA-N
Related Products
- 2-Propenenitrile, 3-(2-thienyl)-
- 2-Propenenitrile, 3-(4-amino-3,5-dimethylphenyl)-, (2E)-
- 2-Propenenitrile,2-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-
- 2-Propenenitrile,2-(trifluoromethyl)-
- 2-Propenenitrile,3-(3,4-dimethoxyphenyl)-, (2E)-
- 2-Propenenitrile,3-(4-methoxyphenyl)-
- 2-Propenenitrile,3-(dimethylamino)-
- 2-Propenenitrile,3-(dimethylamino)-, (2E)-
- 2-Propenenitrile,3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-, (2E)-
- 2-Propenenitrile,3-[3-(trifluoromethyl)phenyl]-, (Z)- (9CI)
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- 5818-15-5
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- 58185-47-0
- 58186-27-9
- 581-89-5
- 5819-04-5
- 58193-25-2
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