Methyl 4-(chloromethyl)benzoate supplier

Name
Methyl 4-(chloromethyl)benzoate
EINECS 251-806-6
CAS No. 34040-64-7
Article Data32
CAS DataBase
Density 1.19 g/cm³
Solubility
Melting Point 39 °C
Formula C₉H₉ClO₂
Boiling Point 275.7 °C at 760 mmHg
Molecular Weight 184.622
Flash Point 134.6 °C
Transport Information UN 3261
Appearance White low melting solid
Safety 26-36/37/39
Risk Codes 34-36/37/38
Molecular Structure
Hazard Symbols C
Synonyms p-Toluicacid, a-chloro-, methyl ester (6CI,8CI);4-(Chloromethyl)benzoic acid methyl ester;4-Methoxycarbonylbenzyl chloride;Methyl p-(chloromethyl)benzoate;Methyl a-chloro-p-toluate;p-(Methoxycarbonyl)benzyl chloride;p-Carbomethoxybenzyl chloride;
PSA 26.30000
LogP 2.21200

Methyl 4-(chloromethyl)benzoate Specification

This chemical is called Methyl 4-(chloromethyl)benzoate, and it can also be named as p-Toluic acid, α-chloro-, methyl ester. With the molecular formula of C₉H₉ClO₂, its molecular weight is 184.62. The CAS registry number of this chemical is 34040-64-7, and its product categories are Aromatic Esters.

Other characteristics of the Methyl 4-(chloromethyl)benzoate can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 43.96; (6)ACD/BCF (pH 7.4): 43.96; (7)ACD/KOC (pH 5.5): 522.06; (8)ACD/KOC (pH 7.4): 522.06; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 47.79 cm³; (15)Molar Volume: 155 cm³; (16)Polarizability: 18.94×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 134.6 °C; (20)Enthalpy of Vaporization: 51.42 kJ/mol; (21)Boiling Point: 275.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00501 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, and it causes burns easily. You should wear suitable protective clothing, gloves and eye/face protection when 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: ClCc1ccc(C(=O)OC)cc1
2.InChI: InChI=1/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
3.InChIKey: SATDLKYRVXFXRE-UHFFFAOYAI
4.Std. InChI: InChI=1S/C9H9ClO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6H2,1H3
5.Std. InChIKey: SATDLKYRVXFXRE-UHFFFAOYSA-N

Product Name

Methyl 4-(chloromethyl)benzoate

Methyl 4-(chloromethyl)benzoate Specification

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