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Name |
Benzoic acid,5-amino-2-bromo-, methyl ester |
EINECS | N/A |
CAS No. | 6942-37-6 | Density | 1.578 g/cm3 |
PSA | 52.32000 | LogP | 2.39910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8BrNO2 | Boiling Point | 313.2 °C at 760 mmHg |
Molecular Weight | 230.061 | Flash Point | 143.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes | 25 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
5-Amino-2-bromobenzoicacid methyl ester;Methyl 5-amino-2-bromobenzoate;NSC 57463; |
Article Data | 24 |
The Benzoic acid,5-amino-2-bromo-, methyl ester, with the CAS registry number 6942-37-6, is also known as 5-Amino-2-bromobenzoicacid methyl ester. This chemical's molecular formula is C8H8BrNO2 and molecular weight is 230.06. What's more, its systematic name is Methyl 5-amino-2-bromobenzoate.
Physical properties of Benzoic acid,5-amino-2-bromo-, methyl ester are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 49.95 cm3; (9)Molar Volume: 145.7 cm3; (10)Polarizability: 19.8×10-24 cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.578 g/cm3; (13)Flash Point: 143.2 °C; (14)Enthalpy of Vaporization: 55.42 kJ/mol; (15)Boiling Point: 313.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000505 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1Br)N
(2)InChI: InChI=1/C8H8BrNO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,10H2,1H3
(3)InChIKey: OFDWPQOLEQDJIX-UHFFFAOYSA-N