Butyl 2-chloroacetate supplier

Name
Butyl 2-chloroacetate
EINECS 209-670-0
CAS No. 590-02-3
Article Data36
CAS DataBase
Density 1.057 g/cm³
Solubility
Melting Point
Formula C₆H₁₁ClO₂
Boiling Point 180.6 °C at 760 mmHg
Molecular Weight 150.605
Flash Point 79.9 °C
Transport Information
Appearance
Safety 16-26-45-36/37/39-23
Risk Codes 10-36/37/38-34
Molecular Structure
Hazard Symbols C
Synonyms Aceticacid, chloro-, butyl ester (6CI,7CI,8CI,9CI);Butyl chloroacetate;Butylmonochloroacetate;Chloroacetic acid butyl ester;Chloroacetic acid n-butylester;NSC 1212;n-Butyl chloroacetate;
PSA 26.30000
LogP 1.56850

Butyl 2-chloroacetate Specification

The Butyl 2-chloroacetate with the CAS number 590-02-3 is also called Acetic acid, 2-chloro-,butyl ester. The systematic name is butyl chloroacetate. Its molecular formula is C₆H₁₁ClO₂. The EINECS registry number is 209-670-0. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.58; (6)ACD/BCF (pH 7.4): 19.58; (7)ACD/KOC (pH 5.5): 292.62; (8)ACD/KOC (pH 7.4): 292.62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 36.47 cm³; (15)Molar Volume: 142.4 cm³; (16)Polarizability: 14.45×10^-24cm³; (17)Surface Tension: 30.2 dyne/cm; (18)Enthalpy of Vaporization: 41.68 kJ/mol; (19)Vapour Pressure: 0.89 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is flammable and can cause burns. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe vapour. Secondly, you should wear suitable protective clothing, gloves and eye/face protection. Thirdly in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally you should keep this chemical away from sources of ignition.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)OCCCC
(2)InChI: InChI=1/C6H11ClO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3
(3)InChIKey: YJRGMUWRPCPLNH-UHFFFAOYAP

Product Name

Butyl 2-chloroacetate

Butyl 2-chloroacetate Specification

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