Benzoic acid, 3-amino-2-bromo- supplier

Name
3-AMINO-2-BROMO-BENZOIC ACID
EINECS
CAS No. 168899-61-4
Density 1.794 g/cm³
Solubility
Melting Point 153-158℃
Formula C7H6BrNO2
Boiling Point 367.362 °C at 760 mmHg
Molecular Weight 216.03
Flash Point 175.974 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-AMINO-2-BROMO-BENZOIC ACID;2-Bromo-3-carboxyaniline
PSA 63.32000
LogP 2.31070

Benzoic acid, 3-amino-2-bromo- Specification

The CAS registry number of Benzoic acid, 3-amino-2-bromo- is 168899-61-4. This chemical's molecular formula is C₇H₆BrNO₂ and molecular weight is 216.03. What's more, its systematic name is called 3-Amino-2-bromobenzoic acid.

Physical properties about Benzoic acid, 3-amino-2-bromo- are: (1)ACD/LogP: 2.12; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 63.32 Å²; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 45.109 cm³; (13)Molar Volume: 120.428 cm³; (14)Polarizability: 17.883×10^-24 cm³; (15)Surface Tension: 67.927 dyne/cm; (16)Density: 1.794 g/cm³; (17)Flash Point: 175.974 °C; (18)Enthalpy of Vaporization: 64.768 kJ/mol; (19)Boiling Point: 367.362 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cccc(C(O)=O)c1Br
(2) InChI: InChI=1/C7H6BrNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
(3) InChIKey: PAGROCHVTXMVTP-UHFFFAOYAC

Product Name

3-AMINO-2-BROMO-BENZOIC ACID

Benzoic acid, 3-amino-2-bromo- Specification

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