Benzeneacetic acid, 2-(chloromethyl)-a-(methoxymethylene)-, methyl ester, (E)- supplier

Name
Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate
EINECS
CAS No. 117428-51-0
Article Data7
CAS DataBase
Density 1.178 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃ClO₃
Boiling Point 373.383 °C at 760 mmHg
Molecular Weight 240.686
Flash Point 155.011 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (E)-2-(chloromethyl)-a-(methoxymethylene)-Benzeneacetic acid methyl ester;methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxy-prop-2-enoate;Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate;
PSA 35.53000
LogP 2.58570

Benzeneacetic acid, 2-(chloromethyl)-a-(methoxymethylene)-, methyl ester, (E)- Specification

The Benzeneacetic acid, 2-(chloromethyl)-a-(methoxymethylene)-, methyl ester, (E)-, with the CAS registry number 117428-51-0, has the systematic name of methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxy-prop-2-enoate. And the molecular formula of this chemical is C₁₂H₁₃ClO₃. It is also called methyl (2E)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate.

The physical properties of Benzeneacetic acid, 2-(chloromethyl)-a-(methoxymethylene)-, methyl ester, (E)- are as following: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.865; (4)ACD/LogD (pH 7.4): 2.865; (5)ACD/BCF (pH 5.5): 88.549; (6)ACD/BCF (pH 7.4): 88.549; (7)ACD/KOC (pH 5.5): 861.797; (8)ACD/KOC (pH 7.4): 861.797; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 63.336 cm³; (15)Molar Volume: 204.32 cm³; (16)Polarizability: 25.108×10^-24cm³; (17)Surface Tension: 38.755 dyne/cm; (18)Density: 1.178 g/cm³; (19)Flash Point: 155.011 °C; (20)Enthalpy of Vaporization: 62.064 kJ/mol; (21)Boiling Point: 373.383 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CO/C=C(\c1ccccc1CCl)/C(=O)OC
(2)InChI: InChI=1/C12H13ClO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8+
(3)InChIKey: QHBMFLGCOYKWJH-DHZHZOJOBS

Product Name

Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate

Benzeneacetic acid, 2-(chloromethyl)-a-(methoxymethylene)-, methyl ester, (E)- Specification

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