Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- supplier

Name
1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBONITRILE
EINECS 252-938-7
CAS No. 36263-51-1
Article Data9
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point 40-45 °C
Formula C₁₄H₁₇NO
Boiling Point 362 °C at 760 mmHg
Molecular Weight 215.295
Flash Point 152.6 °C
Transport Information 3276
Appearance colorless to yellow-brown low melting solid
Safety 24/25
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile;1-(4-Methoxyphenyl)cyclohexanecarbonitrile;NSC 155171;
PSA 33.02000
LogP 3.42068

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Specification

The Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-, with the CAS registry number 36263-51-1, is also known as 1-(4-Methoxyphenyl)cyclohexanecarbonitrile and 1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile. Its EINECS registry number is 252-938-7. This chemical's molecular formula is C₁₄H₁₇NO and molecular weight is 215.2909. What's more, its IUPAC name is 1-(4-Methoxyphenyl)cyclohexane-1-carbonitrile.

Physical properties about Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- are: (1) ACD/LogP: 3.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.14; (4) ACD/LogD (pH 7.4): 3.14; (5) ACD/BCF (pH 5.5): 144.46; (6) ACD/BCF (pH 7.4): 144.46; (7) ACD/KOC (pH 5.5): 1223.34; (8) ACD/KOC (pH 7.4): 1223.34; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 33.02 Å²; (13) Index of Refraction: 1.538; (14) Molar Refractivity: 63.43 cm³; (15) Molar Volume: 202.7 cm³; (16) Polarizability: 25.14×10^-24 cm³; (17) Surface Tension: 42.9 dyne/cm; (18) Density: 1.06 g/cm³; (19) Flash Point: 152.6 °C; (20) Enthalpy of Vaporization: 60.79 kJ/mol; (21) Boiling Point: 362 °C at 760 mmHg; (22) Vapour Pressure: 2E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC2(c1ccc(OC)cc1)CCCCC2
(2) InChI: InChI=1/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
(3) InChIKey: YQXUSXSQFVWPRQ-UHFFFAOYAZ

Product Name

1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBONITRILE

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Specification

Related Products

Hot Products