CAS No.4870-65-9,2-Bromo-2-phenylacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4870-65-9
Name:	2-Bromo-2-phenylacetic acid
Article Data:	38

Formula:	C₈H₇BrO₂
Molecular Weight:	215.046
Synonyms:	Aceticacid, bromophenyl- (6CI,7CI,8CI);(RS)-2-Bromo-2-phenylacetic acid;Bromophenylaceticacid;DL-a-Bromophenylacetic acid;NSC59241;a-Bromo-a-phenylacetic acid;a-Bromobenzeneacetic acid;a-Bromophenylacetic acid;Alpha-bromophenylacetic acid;
EINECS:	225-477-4
Density:	1.643 g/cm³
Melting Point:	82-83 °C(lit.)
Boiling Point:	286.7 °C at 760 mmHg
Flash Point:	127.2 °C
Appearance:	Beige crystalline powder
Hazard Symbols:	C
Risk Codes:	34-36/37
Safety:	26-27-28-36/37/39-45
Transport Information:	UN 3261 8/PG 2
PSA:	37.30000
LogP:	2.20720

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Specification

The Benzeneacetic acid, a-bromo-, with the CAS registry number 4870-65-9, is also known as Bromophenylaceticacid. It belongs to the product categories of Pharmaceutical Intermediates; C₈; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 225-477-4. This chemical's molecular formula is C₈H₇BrO₂ and formula weight is 215.04. What's more, its IUPAC name is 2-bromo-2-phenylacetic acid.

Physical properties of Benzeneacetic acid, a-bromo- are: (1)ACD/LogP: 2.49 ; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): -1.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 45.1 cm³; (14)Molar Volume: 130.8 cm³; (15)Surface Tension: 55.1 dyne/cm; (16)Density: 1.643 g/cm³; (17)Flash Point: 127.2 °C; (18)Enthalpy of Vaporization: 55.54 kJ/mol; (19)Boiling Point: 286.7 °C at 760 mmHg; (20)Vapour Pressure: 0.00121 mmHg at 25°C.

Preparation: this chemical can be prepared by phenylacetic acid by heating. This reaction will need reagent N-bromosuccinimide, benzoyl peroxide and solvent CCl₄ with the reaction time of 5 hours. The yield is about 82%.

Uses of Benzeneacetic acid, a-bromo-: it can be used to produce bromo-phenyl-acetyl chloride at the ambient temperature. It will need reagent SOCl₂ with the reaction time of 2 hours. The yield is about 91.9%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns.It is irritating to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. After contact with skin, you need wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)Br
(2)InChI: InChI=1S/C8H7BrO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)
(3)InChIKey: WAKFRZBXTKUFIW-UHFFFAOYSA-N