Benzoic acid,3-bromo-4,5-dimethoxy- supplier

Name
3-BROMO-4,5-DIMETHOXYBENZOIC ACID
EINECS
CAS No. 20731-48-0
Article Data12
CAS DataBase
Density 1.571 g/cm³
Solubility
Melting Point 193.0 to 197.0 °C
Formula C₉H₉BrO₄
Boiling Point 340.5 °C at 760 mmHg
Molecular Weight 261.072
Flash Point 159.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-4,5-dimethoxybenzoic acid;Veratricacid, 5-bromo- (6CI,7CI,8CI);
PSA 55.76000
LogP 2.16450

Benzoic acid,3-bromo-4,5-dimethoxy- Specification

The Benzoic acid,3-bromo-4,5-dimethoxy-, with the CAS registry number 20731-48-0, is also known as Veratricacid, 5-bromo-. This chemical's molecular formula is C₉H₉BrO₄ and molecular weight is 261.07. What's more, its systematic name is 3-Bromo-4,5-dimethoxybenzoic acid and it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.

Physical properties of Benzoic acid,3-bromo-4,5-dimethoxy- are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/BCF (pH 5.5): 2.01; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 20.95; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 54.23 cm³; (14)Molar Volume: 166.1 cm³; (15)Polarizability: 21.49×10^-24cm³; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.571 g/cm³; (18)Flash Point: 159.7 °C; (19)Enthalpy of Vaporization: 61.64 kJ/mol; (20)Boiling Point: 340.5 °C at 760 mmHg; (21)Vapour Pressure: 3.32E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(OC)c1OC)C(=O)O
(2)InChI: InChI=1S/C9H9BrO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12)
(3)InChIKey: ZODURELBYVOPGP-UHFFFAOYSA-N

Product Name

3-BROMO-4,5-DIMETHOXYBENZOIC ACID

Benzoic acid,3-bromo-4,5-dimethoxy- Specification

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