Methyl 4-chloro-3-methoxy-2-butenoate supplier

Name
Methyl 4-chloro-3-methoxy-2-(E)-butenoate
EINECS 285-842-9
CAS No. 85153-60-2
Article Data7
CAS DataBase
Density 1.157 g/cm³
Solubility insoluble
Melting Point 25 °C
Formula C₆H₉ClO₃
Boiling Point 230.9 °C at 760 mmHg
Molecular Weight 164.589
Flash Point 99 °C
Transport Information
Appearance
Safety 26-36/37/39-45
Risk Codes 22-34
Molecular Structure
Hazard Symbols C
Synonyms Methyl 4-chloro-3-methoxy-2-butenoate;methyl (2E)-4-chloro-3-methoxybut-2-enoate;Methyl (E)-4-Chloro-3-methoxy-2-butenoate;
PSA 35.53000
LogP 0.92850

Methyl 4-chloro-3-methoxy-2-butenoate Specification

The Methyl 4-chloro-3-methoxy-2-(E)-butenoate, with the CAS registry number 85153-60-2 and EINECS registry number 285-842-9, has the systematic name of methyl (2E)-4-chloro-3-methoxybut-2-enoate. And the molecular formula of the chemical is C₆H₉ClO₃.

The characteristics of Methyl 4-chloro-3-methoxy-2-(E)-butenoate are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.86; (6)ACD/BCF (pH 7.4): 2.86; (7)ACD/KOC (pH 5.5): 73.75; (8)ACD/KOC (pH 7.4): 73.75; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 38.11 cm³; (15)Molar Volume: 142.2 cm³; (16)Polarizability: 15.11×10^-24cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 1.157 g/cm³; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 46.75 kJ/mol; (21)Boiling Point: 230.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0643 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is harmful if swallowed, and may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC(/OC)=C\C(=O)OC
(2)InChI: InChI=1/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3/b5-3+
(3)InChIKey: JNYMRXDQVPIONI-HWKANZROBQ

Product Name

Methyl 4-chloro-3-methoxy-2-(E)-butenoate

Methyl 4-chloro-3-methoxy-2-butenoate Specification

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