2-Bromo-4-methoxyphenylacetic acid supplier

Name
2-Bromo-4-methoxyphenylacetic acid
EINECS
CAS No. 66916-99-2
Article Data3
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point 127-131 °C(lit.)
Formula C₉H₉BrO₃
Boiling Point 353.6 °C at 760 mmHg
Molecular Weight 245.073
Flash Point 167.6 °C
Transport Information UN 2811
Appearance
Safety 60-61
Risk Codes 22-50
Molecular Structure
Hazard Symbols Xn; N
Synonyms 2-(2-Bromo-4-methoxyphenyl)aceticacid;2-Bromo-4-methoxyphenylacetic acid;(2-bromo-4-methoxyphenyl)acetic acid;benzeneacetic acid, 2-bromo-4-methoxy-;
PSA 46.53000
LogP 2.08480

2-Bromo-4-methoxyphenylacetic acid Specification

The 2-Bromo-4-methoxyphenylacetic acid, with the CAS registry number 66916-99-2, is also called benzeneacetic acid, 2-bromo-4-methoxy-. It belongs to the following product categories: Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid; C9; Carbonyl Compounds; Carboxylic Acids. And the molecular formula of the chemical is C₉H₉BrO₃.

The characteristics of 2-Bromo-4-methoxyphenylacetic acid are as followings: (1)ACD/LogP; 2.31; (2)# of Rule of 5 Violations; 0; (3)ACD/LogD (pH 5.5); 0.99; (4)ACD/LogD (pH 7.4); -0.78; (5)ACD/BCF (pH 5.5); 1.62; (6)ACD/BCF (pH 7.4); 1; (7)ACD/KOC (pH 5.5); 20.7; (8)ACD/KOC (pH 7.4); 1; (9)#H bond acceptors; 3; (10)#H bond donors; 1; (11)#Freely Rotating Bonds; 3; (12)Polar Surface Area; 35.53 Å²; (13)Index of Refraction; 1.572; (14)Molar Refractivity; 51.73 cm³; (15)Molar Volume; 157 cm³; (16)Polarizability; 20.5×10^-24cm³; (17)Surface Tension; 47.7 dyne/cm; (18)Density; 1.56 g/cm³; (19)Flash Point; 167.6 °C; (20)Enthalpy of Vaporization; 63.16 kJ/mol; (21)Boiling Point; 353.6 °C at 760 mmHg; (22)Vapour Pressure; 1.31E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is very toxic to aquatic organisms, and harmful if swallowed. Therefore, you had better take the following instructions: The container must be disposed of as hazardous waste, and avoid release to the environment. Refer to special instructions safety data sheet.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(OC)ccc1CC(=O)O
(2)InChI: InChI=1/C9H9BrO3/c1-13-7-3-2-6(4-9(11)12)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,12)
(3)InChIKey: XQELSBAAFMYSMG-UHFFFAOYAT

Product Name

2-Bromo-4-methoxyphenylacetic acid

2-Bromo-4-methoxyphenylacetic acid Specification

Related Products

Hot Products