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CAS No.: | 15852-73-0 |
---|---|
Name: | 3-Bromobenzyl alcohol |
Article Data: | 103 |
Molecular Structure: | |
Formula: | C7H7BrO |
Molecular Weight: | 187.036 |
Synonyms: | Benzylalcohol, m-bromo- (6CI,8CI);3-Bromophenylmethanol;m-Bromobenzyl alcohol;M-Bromobenzyl Alcohol -1000Kgs; |
EINECS: | 239-975-4 |
Density: | 1.565 g/cm3 |
Melting Point: | 110-112 °C |
Boiling Point: | 287.2 °C at 760 mmHg |
Flash Point: | 115.7 °C |
Solubility: | Slightly soluble in water |
Appearance: | clear colourless to light yellow liquid |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 20.23000 |
LogP: | 1.94140 |
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The m-Bromobenzyl alcohol is an organic compound with the formula C7H7BrO. The IUPAC name of this chemical is (3-bromophenyl)methanol. With the CAS registry number 15852-73-0, it is also named as Benzenemethanol, 3-bromo-. The product's categories are Benzhydrols, Benzyl & Special Alcohols; Alcohol; Alcohols; Bromine Compounds; C7 to C8; Oxygen Compounds. Besides, it is a clear colourless to light yellow liquid, which should be stored in a dark closed and dyr place at room temperature. It is a reagent commonly used in organic chemistry. When you are using it, avoid contact with skin and eyes.
Physical properties about m-Bromobenzyl alcohol are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 1.81; (4)ACD/BCF (pH 5.5): 13.89; (5)ACD/BCF (pH 7.4): 13.89; (6)ACD/KOC (pH 5.5): 228.89; (7)ACD/KOC (pH 7.4): 228.89; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 40.39 cm3; (14)Molar Volume: 119.4 cm3; (15)Polarizability: 16.01×10-24cm3; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.565 g/cm3; (18)Flash Point: 115.7 °C; (19)Enthalpy of Vaporization: 55.59 kJ/mol; (20)Boiling Point: 287.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00118 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-bromo-benzaldehyde. This reaction will need reagent NaBH4.
Uses of m-Bromobenzyl alcohol: it can be used to produce m-bromobenzyl chloroformate. The yield is about 98.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)CO
(2)InChI: InChI=1/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
(3)InChIKey: FSWNRRSWFBXQCL-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
(5)Std. InChIKey: FSWNRRSWFBXQCL-UHFFFAOYSA-N