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6092-54-2

Basic Information
CAS No.: 6092-54-2
Name: Carbonochloridic acid,hexyl ester
Molecular Structure:
Molecular Structure of 6092-54-2 (Carbonochloridic acid,hexyl ester)
Formula: C7H13ClO2
Molecular Weight: 164.63
Synonyms: Formicacid, chloro-, hexyl ester (7CI,8CI);Hexyl alcohol, chloroformate (6CI);Chloroformic acid n-hexyl ester;Hexyl chlorocarbonate;Hexyl chloroformate;Hexyloxycarbonyl chloride;n-Hexyl chloroformate;
EINECS: 228-036-4
Density: 1.035g/cm3
Melting Point:
Boiling Point: 187.2 °C at 760 mmHg
Flash Point: 56.3 °C
Solubility:
Appearance: Clear colorless liquid
Hazard Symbols: ToxicT
Risk Codes: 23/24/25-34
Safety: 26-27-36/37/39-45
Transport Information:
PSA: 26.30000
LogP: 2.94210
Downstream Products
20633-11-8
872728-81-9
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Specification

The Carbonochloridic acid,hexyl ester, with CAS registry number 6092-54-2, belongs to the following product categories: (1)Acid Halides; (2)Carbonyl Compounds; (3)Organic Building Blocks. It has the systematic name of hexyl carbonochloridate. This chemical is a kind of clear colorless liquid. And the chemical formula of this chemical is C7H13ClO2.

Physical properties of Carbonochloridic acid,hexyl ester: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 301.95; (6)ACD/BCF (pH 7.4): 301.95; (7)ACD/KOC (pH 5.5): 2073.69; (8)ACD/KOC (pH 7.4): 2073.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 41.1 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 16.29×10-24cm3; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 1.035 g/cm3; (19)Flash Point: 56.3 °C; (20)Enthalpy of Vaporization: 42.34 kJ/mol; (21)Boiling Point: 187.2 °C at 760 mmHg; (22)Vapour Pressure: 0.637 mmHg at 25°C.

Uses of p-Chloropropiophenone: it can be used to produce 2-hexyloxycarbonylamino-3-phenyl-proπonic acid. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
The Carbonochloridic acid,hexyl ester is toxic by inhalation, in contact with skin and if swallowed. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. After usinf it, take off immediately all contaminated clothing. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)OCCCCCC
(2)InChI: InChI=1/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
(3)InChIKey: KIWBRXCOTCXSSZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
(5)Std. InChIKey: KIWBRXCOTCXSSZ-UHFFFAOYSA-N