Methyl 3-(bromomethyl)benzoate supplier

Name
Methyl 3-(bromomethyl)benzoate
EINECS 419-100-4
CAS No. 1129-28-8
Article Data59
CAS DataBase
Density 1,47 g/cm³
Solubility Slightly soluble in water.
Melting Point 43-46 °C
Formula C₉H₉BrO₂
Boiling Point 288.7 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 128.4 °C
Transport Information UN 3261 8/PG 2
Appearance white crystalline powder or crystals
Safety 26-36/37/39-45
Risk Codes 22-34-43
Molecular Structure
Hazard Symbols C,Xi
Synonyms m-Toluicacid, a-bromo-, methyl ester(6CI,7CI,8CI);3-(Bromomethyl)benzoic acid methyl ester;3-Carbomethoxybenzyl bromide;3-Methoxycarbonylbenzyl bromide;Methylm-(bromomethyl)benzoate;Methyl a-bromo-m-toluate;m-(Bromomethyl)benzoic acid methyl ester;m-(Methoxycarbonyl)benzyl bromide;m-Carbomethoxybenzyl bromide;3-(Bromomethyl)phenylacetic acid;
PSA 26.30000
LogP 2.36810

Methyl 3-(bromomethyl)benzoate Specification

The Methyl 3-(bromomethyl)benzoate with cas registry number of 1129-28-8 is also known as 3-(Bromomethyl)benzoic acid methyl ester. It is white crystalline powder or crystals with EINECS registry number of 419-100-4. Both its systematic name and IUPAC name are the same which is called methyl 3-(bromomethyl)benzoate. It belongs to categories: Aromatic Halides (substituted); Esters; Phenyls & Phenyl-Het.

The physical properties about this chemical are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 93.64; (6)ACD/BCF (pH 7.4): 93.64; (7)ACD/KOC (pH 5.5): 897.01; (8)ACD/KOC (pH 7.4): 897.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.559; (13)Molar Refractivity: 50.67 cm³; (14)Molar Volume: 156.8 cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.46 g/cm³; (17)Flash Point: 128.4 °C; (18)Enthalpy of Vaporization: 52.8 kJ/mol; (19)Boiling Point: 288.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0023 mmHg at 25°C.

Preparation of Methyl 3-(bromomethyl)benzoate: it can be made by 3-methyl-benzoic acid methyl ester. This reaction also needs reagents N-bromosuccinimide, benzoyl peroxide and solvent CCl₄.

Uses of Methyl 3-(bromomethyl)benzoate: it can react with 1H-imidazole to produce 3-imidazol-1-ylmethyl-benzoic acid methyl ester with solvent Acetone for 2 hours.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. And it also can cause burns. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cc(C(=O)OC)ccc1;
(2)InChI: InChI=1/C9H9BrO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3;
(3)InChIKey: YUHSMQQNPRLEEJ-UHFFFAOYAD

Product Name

Methyl 3-(bromomethyl)benzoate

Methyl 3-(bromomethyl)benzoate Specification

Related Products

Hot Products