Methyl 2-bromomethyl-3-methoxybenzoate supplier

Name
Methyl 2-bromomethyl-3-methoxybenzoate
EINECS
CAS No. 71887-28-0
Article Data13
CAS DataBase
Density 1.432 g/cm³
Solubility
Melting Point 112-114 °C(Solv: hexane (110-54-3))
Formula C₁₀H₁₁BrO₃
Boiling Point 330 °C at 760 mmHg
Molecular Weight 259.1
Flash Point 153.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromomethyl-3-methoxybenzoicacid methyl ester;Methyl 2-(bromomethyl)-3-methoxybenzoate;
PSA 35.53000
LogP 2.37670

Methyl 2-bromomethyl-3-methoxybenzoate Specification

This chemical is called Methyl 2-bromomethyl-3-methoxybenzoate, and it can also be named as benzoic acid, 2-(bromomethyl)-3-methoxy-, methyl ester. With the molecular formula of C₁₀H₁₁BrO₃, its molecular weight is 259.10. The CAS registry number of this chemical is 71887-28-0.

Other characteristics of the Methyl 2-bromomethyl-3-methoxybenzoate can be summarised as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.8; (6)ACD/BCF (pH 7.4): 76.8; (7)ACD/KOC (pH 5.5): 778.33; (8)ACD/KOC (pH 7.4): 778.33; (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: 1.547; (14)Molar Refractivity: 57.35 cm³; (15)Molar Volume: 180.8 cm³; (16)Polarizability: 22.73×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Density: 1.432 g/cm³; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 57.25 kJ/mol; (21)Boiling Point: 330 °C at 760 mmHg; (22)Vapour Pressure: 0.000171 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, so you should wear suitable protective clothing 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: COc1cccc(c1CBr)C(=O)OC
2.InChI: InChI=1/C10H11BrO3/c1-13-9-5-3-4-7(8(9)6-11)10(12)14-2/h3-5H,6H2,1-2H3
3.InChIKey: HYLGKOGJOVGRNN-UHFFFAOYAY

Product Name

Methyl 2-bromomethyl-3-methoxybenzoate

Methyl 2-bromomethyl-3-methoxybenzoate Specification

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