Basic information
- Name:
Carbonochloridicacid, 2-methylpropyl ester
- Superlist Name:
- Isobutyl chloroformate
- CAS No.:
543-27-1
- Molecular Structure:
- Formula:
- C5H9ClO2
- Molecular Weight:
- 136.58
- Synonyms:
- Formicacid, chloro-, isobutyl ester (6CI,7CI,8CI);2-Methylpropyl carbonochloridate;2-Methylpropyl chloroformate;Chlorocarbonic acid isobutyl ester;Chloroformicacid isobutyl ester;IBCF;Isobutoxycarbonyl chloride;Isobutylcarbonochloridate;Isobutyl chloridocarbonate;Isobutyl chlorocarbonate;Isobutyl chloroformate;Isobutyloxycarbonyl chloride;NSC 8429;Isobutylchloroformate;
- EINECS:
- 208-840-1
- Density:
- 1.081 g/cm3
- Melting Point:
- -80 °C
- Boiling Point:
- 130 °C at 760 mmHg
- Flash Point:
- 27.8 °C
- Solubility:
- Insoluble in water and denser than water
- Appearance:
- clear liquid
- Hazard Symbols:
T- Risk Codes:
- 10-22-23-34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 3390 6.1/PG 1
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Specification
The CAS register number of Carbonochloridicacid, 2-methylpropyl ester is 543-27-1. It also can be called as Isobutyl chloroformate and the IUPAC name about this chemical is 2-methylpropyl carbonochloridate. The molecular formula about this chemical is C5H9ClO2 and the molecular weight is 136.58. It belongs to the following product categories, such as Organics; Chloroformates; Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.
Physical properties about Carbonochloridicacid, 2-methylpropyl ester are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.08; (5)ACD/BCF (pH 7.4): 34.08; (6)ACD/KOC (pH 5.5): 435.07; (7)ACD/KOC (pH 7.4): 435.07; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.417; (12)Molar Refractivity: 31.79 cm3; (13)Molar Volume: 126.3 cm3; (14)Polarizability: 12.6x10-24cm3; (15)Surface Tension: 28.4 dyne/cm; (16)Enthalpy of Vaporization: 36.77 kJ/mol; (17)Boiling Point: 130 °C at 760 mmHg; (18)Vapour Pressure: 9.91 mmHg at 25°C.
Uses of Carbonochloridicacid, 2-methylpropyl ester: it can be used to produce phenethyl-carbamic acid isobutyl ester with phenethylamine at ambient temperature. This reaction will need reagent pyridine and solvent CH2Cl2 with reaction time of 3 hours.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation and it is harmful if swallowed, it is flammable and it can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)OCC(C)C
(2)InChI: InChI=1/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
(3)InChIKey: YOETUEMZNOLGDB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
(5)Std. InChIKey: YOETUEMZNOLGDB-UHFFFAOYSA-N