4-Cumylphenhyl chloroformate supplier

Name
4-Cumylphenhyl chloroformate
EINECS
CAS No. 82941-10-4
Density 1.168 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₅ClO₂
Boiling Point 350.73 °C at 760 mmHg
Molecular Weight 274.747
Flash Point 155.693 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cumylphenylchloroformate;p-Cumylphenyl chloroformate;
PSA 26.30000
LogP 4.75010

4-Cumylphenhyl chloroformate Specification

The systematic name of 4-Cumylphenhyl chloroformate is 4-(1-methyl-1-phenylethyl)phenyl chlorocarbonate. With the CAS registry number 82941-10-4, it is also named as Carbonochloridic acid 4-(1-methyl-1-phenylethyl)phenyl ester. In addition, its molecular formula is C₁₆H₁₅ClO₂ and molecular weight is 274.75.

The other characteristics of 4-Cumylphenhyl chloroformate can be summarized as: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 6817; (6)ACD/BCF (pH 7.4): 6817; (7)ACD/KOC (pH 5.5): 19306; (8)ACD/KOC (pH 7.4): 19306; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 75.962 cm³; (15)Molar Volume: 235.212 cm³; (16)Polarizability: 30.114×10^-24cm³; (17)Surface Tension: 39.573 dyne/cm; (18)Density: 1.168 g/cm³; (19)Flash Point: 155.693 °C; (20)Enthalpy of Vaporization: 59.536 kJ/mol; (21)Boiling Point: 350.73 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(Cl)Oc1ccc(cc1)C(c2ccccc2)(C)C
(2)InChI: InChI=1/C16H15ClO2/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19-15(17)18/h3-11H,1-2H3
(3)InChIKey: XSIZHTUSUPHZFF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C16H15ClO2/c1-16(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19-15(17)18/h3-11H,1-2H3
(5)Std. InChIKey: XSIZHTUSUPHZFF-UHFFFAOYSA-N

Product Name

4-Cumylphenhyl chloroformate

4-Cumylphenhyl chloroformate Specification

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