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Name |
Benzene,2-chloro-4-isocyanato-1-(1-methylethyl)- |
EINECS | 251-834-9 |
CAS No. | 34123-50-7 | Density | 1.12 g/cm3 |
PSA | 29.43000 | LogP | 3.43070 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10ClNO | Boiling Point | 260 °C at 760 mmHg |
Molecular Weight | 195.648 | Flash Point | 82.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Isocyanicacid, 3-chloro-p-cumenyl ester (8CI);3-Chloro-4-isopropylphenyl isocyanate;4-Isopropyl-3-chlorophenyl isocyanate; |
The Benzene, 2-chloro-4-isocyanato-1-(1-methylethyl)-, with the CAS registry number 34123-50-7, is also known as 3-Chloro-4-isopropylphenyl isocyanate. And its EINECS registry number is 251-834-9. This chemical's molecular formula is C10H10ClNO and molecular weight is 195.6455. What's more, its IUPAC name is 2-Chloro-4-isocyanato-1-propan-2-ylbenzene.
Physical properties about Benzene, 2-chloro-4-isocyanato-1-(1-methylethyl)- are: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 4.64; (5)ACD/BCF (pH 5.5): 1965.17; (6)ACD/BCF (pH 7.4): 1965.17; (7)ACD/KOC (pH 5.5): 7925.26; (8)ACD/KOC (pH 7.4): 7925.26; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.43 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 54.21 cm3; (15)Molar Volume: 174.5 cm3; (16)Polarizability: 21.49×10-24 cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 49.77 kJ/mol; (21)Boiling Point: 260 °C at 760 mmHg; (22)Vapour Pressure: 0.0125 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(/N=C=O)ccc1C(C)C
(2) InChI: InChI=1/C10H10ClNO/c1-7(2)9-4-3-8(12-6-13)5-10(9)11/h3-5,7H,1-2H3
(3) InChIKey: ATVMYSGNLDWVSC-UHFFFAOYAZ