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