Methyl 3-cyano-4-methoxybenzoate supplier

Name
METHYL 3-CYANO-4-METHOXYBENZOATE
EINECS -0
CAS No. 25978-74-9
Article Data7
CAS DataBase
Density 1.2 g/cm³
Solubility
Melting Point 124 °C
Formula C₁₀H₉NO₃
Boiling Point 339.7 °C at 760 mmHg
Molecular Weight 191.186
Flash Point 148.2 °C
Transport Information 3439
Appearance light brown solid
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols R20/22:Harmful by inhalation and if swallowed.;
Synonyms p-Anisic acid, 3-cyano-, methyl ester (8CI);3-Cyano-4-methoxybenzoic acid methyl ester;Methyl 3-cyano-4-methoxybenzoate;
PSA 59.32000
LogP 1.35348

Methyl 3-cyano-4-methoxybenzoate Specification

This chemical is called Benzoic acid, 3-cyano-4-methoxy-, methyl ester, and its systematic name is Methyl 3-cyano-4-methoxybenzoate. With the CAS registry number of 25978-74-9, its product category is Aromatic Esters. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the Benzoic acid, 3-cyano-4-methoxy-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 27.08; (6)ACD/BCF (pH 7.4): 27.08; (7)ACD/KOC (pH 5.5): 369.06; (8)ACD/KOC (pH 7.4): 369.06; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.32 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 48.79 cm³; (15)Molar Volume: 158.4 cm³; (16)Polarizability: 19.34×10^-24cm³; (17)Surface Tension: 47.2 dyne/cm; (18)Density: 1.2 g/cm³; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 58.32 kJ/mol; (21)Boiling Point: 339.7 °C at 760 mmHg; (22)Vapour Pressure: 9.03E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccc(OC)c(C#N)c1
2.InChI: InChI=1/C10H9NO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,1-2H3
3.InChIKey: RYJSFYBJYKFNCF-UHFFFAOYAD

Product Name

METHYL 3-CYANO-4-METHOXYBENZOATE

Methyl 3-cyano-4-methoxybenzoate Specification

Related Products

Hot Products