Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

3-Bromophenylacetic Acid

Related Products

Hot Products

Name

3-Bromophenylacetic Acid

EINECS 217-522-1
CAS No. 1878-67-7 Density 1.616 g/cm3
PSA 37.30000 LogP 2.07620
Solubility N/A Melting Point 98-102 °C(lit.)
Formula C8H7BrO2 Boiling Point 326 °C at 760 mmHg
Molecular Weight 215.046 Flash Point 151 °C
Transport Information N/A Appearance white crystalline powder or needles
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1878-67-7 (3-Bromophenylacetic acid) Hazard Symbols IrritantXi
Synonyms

Aceticacid, (m-bromophenyl)- (7CI,8CI);(m-Bromophenyl)acetic acid;2-(3-Bromophenyl)acetic acid;3-Bromophenylaceticacid;

Article Data 19

3-Bromophenylacetic Acid Specification

The IUPAC name of this chemical is 2-(3-bromophenyl)acetic acid. With the CAS registry number 1878-67-7, it is also named as Benzeneacetic acid, 3-bromo-. The product's categories are Phenylacetic acid series; Bromides; Carboxes; Aromatic Phenylacetic Acids and Derivatives; Organic acids; Miscellaneous; Carbonyl Compounds; Carboxylic Acids. It is white crystalline powder or needles which should be sealed in the container and stored in the cool and dry place.

The other characteristics of 3-Bromophenylacetic Acid can be summarized as: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.88; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.59; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 45.05 cm3; (14)Molar Volume: 133 cm3; (15)Polarizability: 17.86×10-24 cm3; (16)Surface Tension: 51.3 dyne/cm; (17)Enthalpy of Vaporization: 59.98 kJ/mol; (18)Vapour Pressure: 9.03E-05 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 213.962942; (21)MonoIsotopic Mass: 213.962942; (22)Topological Polar Surface Area: 37.3; (23)Heavy Atom Count: 11; (24)Complexity: 147.

Uses of 3-Bromophenylacetic Acid: It can react with 4,6-dimethyl-pyridin-2-ylamine to get 2-(3-bromo-phenyl)-N-(4,6-dimethyl-pyridin-2-yl)-acetamide. This reaction needs reagent triphenylphosphine and bromotrichloromethane and solvent tetrahydrofuran by heating. The reaction time is 3 hours. The yield is 68 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should not breathe dust and avoid contact with skin and eyes. 

People can use the following data to convert to the molecule structure. 
1. SMILES:Brc1cc(ccc1)CC(=O)O
2. InChI:InChI=1/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
3. InChIKey:KYNNBXCGXUOREX-UHFFFAOYAK

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 1878-67-7