Benzoic acid,4-amino-5-bromo-2-methoxy- supplier

Name
4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID
EINECS 246.06
CAS No. 35290-97-2
Article Data8
CAS DataBase
Density 1.703 g/cm³
Solubility
Melting Point 186-188°C
Formula C₈H₈BrNO₃
Boiling Point 395.5 °C at 760 mmHg
Molecular Weight 246.06
Flash Point 193 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methoxy-4-amino-5-bromobenzoicacid;4-Amino-5-bromo-2-methoxybenzoic acid;4-Amino-5-bromo-o-anisic acid;5-Bromo-4-amino-2-methoxybenzoic acid;
PSA 72.55000
LogP 2.31930

Benzoic acid,4-amino-5-bromo-2-methoxy- Specification

The Benzoic acid,4-amino-5-bromo-2-methoxy-, with the CAS registry number 35290-97-2 and EINECS registry number 252-491-8, has the systematic name and IUPAC name of 4-amino-5-bromo-2-methoxybenzoic acid. It is a kind of irritant chemical, and the molecular formula of the chemical is C₈H₈BrNO₃.

The characteristics of Benzoic acid,4-amino-5-bromo-2-methoxy- are as followings: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): -0.81; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 51.78 cm³; (15)Molar Volume: 144.4 cm³; (16)Polarizability: 20.53×10^-24cm³; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.703 g/cm³; (19)Flash Point: 193 °C; (20)Enthalpy of Vaporization: 68.09 kJ/mol; (21)Boiling Point: 395.5 °C at 760 mmHg; (22)Vapour Pressure: 5.77E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(c(OC)cc1N)C(=O)O
(2)InChI: InChI=1/C8H8BrNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)
(3)InChIKey: WHXLHIGUTBQVOF-UHFFFAOYAD

Product Name

4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID

Benzoic acid,4-amino-5-bromo-2-methoxy- Specification

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