3,5-Dibromophenylacetic acid supplier

Name
3,5-DIBROMOPHENYLACETIC ACID
EINECS
CAS No. 188347-49-1
Article Data5
CAS DataBase
Density 1.969 g/cm³
Solubility
Melting Point
Formula C₈H₆Br₂O₂
Boiling Point 381.7 °C at 760 mmHg
Molecular Weight 293.942
Flash Point 184.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Dibromophenylaceticacid;
PSA 37.30000
LogP 2.83870

3,5-Dibromophenylacetic acid Specification

The systematic name of 3,5-Dibromophenylacetic acid is (3,5-dibromophenyl)acetic acid. With the CAS registry number 188347-49-1, it is also named as Benzeneacetic acid,3,5-dibromo-. The product's categories are Aromatic Phenylacetic Acids and Derivatives. In addition, its molecular formula is C₈H₆Br₂O₂ and its molecular weight is 293.94.

The other characteristics of 3,5-Dibromophenylacetic acid can be summarized as: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 3.07; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.89; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 52.74 cm³; (15)Molar Volume: 149.2 cm³; (16)Polarizability: 20.91×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.969 g/cm³; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 66.45 kJ/mol; (21)Boiling Point: 381.7 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(cc(Br)c1)CC(=O)O
(2)InChI: InChI=1/C8H6Br2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: NTQNLWCPZSORSR-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6Br2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
(5)Std. InChIKey: NTQNLWCPZSORSR-UHFFFAOYSA-N

Product Name

3,5-DIBROMOPHENYLACETIC ACID

3,5-Dibromophenylacetic acid Specification

Related Products

Hot Products