Methyl 4-cyano-3-methylbenzoate supplier

Name
4-Cyano-3-methylBenzoic acid methyl ester
EINECS
CAS No. 25978-68-1
Article Data8
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point
Formula C₁₀H₉NO₂
Boiling Point 311.8 °C at 760 mmHg
Molecular Weight 175.187
Flash Point 145.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms benzoic acid, 4-cyano-3-methyl-, methyl ester;Methyl 4-cyano-3-methylbenzoate;LogP
PSA 50.09000
LogP 1.65328

Methyl 4-cyano-3-methylbenzoate Specification

The 4-Cyano-3-methylBenzoic acid methyl ester, with the CAS registry number 25978-68-1, is also known as Methyl 4-cyano-3-methylbenzoate. This chemical's molecular formula is C₁₀H₉NO₂ and molecular weight is 175.186. What's more, its systematic name is Methyl 4-cyano-3-methylbenzoate.

Physical properties about 4-Cyano-3-methylBenzoic acid methyl ester are: (1)ACD/LogP: 2.31; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.53; (6)ACD/BCF (pH 7.4): 33.53; (7)ACD/KOC (pH 5.5): 430.01; (8)ACD/KOC (pH 7.4): 430.01; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 47.05 cm³; (15)Molar Volume: 152.2 cm³; (16)Polarizability: 18.65×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm ; (18)Density: 1.15 g/cm³; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 55.27 kJ/mol; (21)Boiling Point: 311.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000551 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(cc1C)C(=O)OC
(2) InChI: InChI=1/C10H9NO2/c1-7-5-8(10(12)13-2)3-4-9(7)6-11/h3-5H,1-2H3
(3) InChIKey: LIXWSMOADOOTOR-UHFFFAOYAI

Product Name

4-Cyano-3-methylBenzoic acid methyl ester

Methyl 4-cyano-3-methylbenzoate Specification

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