Benzoic acid,3-amino-5-bromo-, methyl ester supplier

Name
3-AMINO-5-BROMOBENZOATE
EINECS
CAS No. 706791-83-5
Article Data29
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point 83-88℃
Formula C₈H₈BrNO₂
Boiling Point 332.308 °C at 760 mmHg
Molecular Weight 230.061
Flash Point 154.775 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Amino-5-bromobenzoicacid methyl ester;Methyl 3-amino-5-bromobenzoate;3-Amino-5-bromobenzoate;
PSA 52.32000
LogP 2.39910

Benzoic acid,3-amino-5-bromo-, methyl ester Specification

The Benzoic acid,3-amino-5-bromo-, methyl ester, with the CAS registry number 706791-83-5, is also known as 3-Amino-5-bromobenzoate. This chemical's molecular formula is C₈H₈BrNO₂ and molecular weight is 230.06. What's more, its systematic name is Methyl 3-amino-5-bromobenzoate.

Physical properties of Benzoic acid,3-amino-5-bromo-, methyl ester are: (1)ACD/LogP: ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 325; (8)ACD/KOC (pH 7.4): 325; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 49.952 cm³; (15)Molar Volume: 145.791 cm³; (16)Polarizability: 19.803×10^-24cm³; (17)Surface Tension: 50.399 dyne/cm; (18)Density: 1.578 g/cm³; (19)Flash Point: 154.775 °C; (20)Enthalpy of Vaporization: 57.506 kJ/mol; (21)Boiling Point: 332.308 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(cc(Br)c1)C(=O)OC
(2)InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,10H2,1H3
(3)InChIKey: MNXLJDUZJCMJCI-UHFFFAOYSA-N

Product Name

3-AMINO-5-BROMOBENZOATE

Benzoic acid,3-amino-5-bromo-, methyl ester Specification

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