Benzoicacid, 2-bromo-4-methoxy- supplier

Name
3-(2-AMINOETHYL)PYRIDINE
EINECS 214-589-6
CAS No. 74317-85-4
Article Data16
CAS DataBase
Density 1.625 g/cm³
Solubility
Melting Point 199℃
Formula C₈H₇BrO₃
Boiling Point 313.6 °C at 760 mmHg
Molecular Weight 231.046
Flash Point 143.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Anisicacid, 2-bromo- (6CI);2-Bromo-4-methoxybenzoic acid;
PSA 46.53000
LogP 2.15590

Benzoicacid, 2-bromo-4-methoxy- Specification

The Benzoicacid, 2-bromo-4-methoxy-, with the CAS registry number 74317-85-4, is also known as p-Anisicacid, 2-bromo- (6CI). It belongs to the product category of Pyridine. This chemical's molecular formula is C₈H₇BrO₃ and molecular weight is 231.04. What's more, its systematic name is 2-bromo-4-methoxybenzoic acid.

Physical properties of Benzoicacid, 2-bromo-4-methoxy- are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.16; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 47.55 cm³; (14)Molar Volume: 142.1 cm³; (15)Polarizability: 18.85×10^-24 cm³; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.625 g/cm³; (18)Flash Point: 143.5 °C; (19)Enthalpy of Vaporization: 58.57 kJ/mol; (20)Boiling Point: 313.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000209 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)c1ccc(cc1Br)OC
(2)InChI: InChI=1/C8H7BrO3/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H,10,11)
(3)InChIKey: SEJVMKLJNIKFAF-UHFFFAOYAY

Product Name

3-(2-AMINOETHYL)PYRIDINE

Benzoicacid, 2-bromo-4-methoxy- Specification

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