Basic information
- Name:
Chloromethyl isopropyl carbonate
- CAS No.:
35180-01-9
- Molecular Structure:
- Formula:
- C5H9ClO3
- Molecular Weight:
- 152.58
- Synonyms:
- Chloromethyl1-methylethyl carbonate;Isopropoxycarbonyloxymethyl chloride;Isopropyl chloromethyl carbonate;[(Isopropyloxycarbonyl)oxy]methyl chloride;
- Density:
- 1.15 g/cm3
- Boiling Point:
- 147.5 °C at 760 mmHg
- Flash Point:
- 50 °C
- Appearance:
- Colorless and transparent liquid
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Specification
The Chloromethyl isopropyl carbonate, with the CAS registry number 35180-01-9, is also known as Chloromethyl (1-methylethyl) carbonate. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C5H9ClO3 and molecular weight is 152.58. Its IUPAC name is called chloromethyl propan-2-yl carbonate. What's more, this chemical is used as intermediates in organic synthesis.
Physical properties of Chloromethyl isopropyl carbonate: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 115; (7)ACD/KOC (pH 7.4): 115; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 33.541 cm3; (12)Molar Volume: 132.675 cm3; (13)Surface Tension: 30.309 dyne/cm; (14)Density: 1.15 g/cm3; (15)Flash Point: 49.952 °C; (16)Enthalpy of Vaporization: 38.444 kJ/mol; (17)Boiling Point: 147.463 °C at 760 mmHg; (18)Vapour Pressure: 4.419 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)OC(=O)OCCl
(2)InChI: InChI=1S/C5H9ClO3/c1-4(2)9-5(7)8-3-6/h4H,3H2,1-2H3
(3)InChIKey: JHYNXXBAHWPABC-UHFFFAOYSA-N