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| CAS No.: | 6942-37-6 |
|---|---|
| Name: | 5-AMINO-2-BROMO-BENZOIC ACID METHYL ESTER |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C8H8BrNO2 |
| Molecular Weight: | 230.061 |
| Synonyms: | 5-Amino-2-bromobenzoicacid methyl ester;Methyl 5-amino-2-bromobenzoate;NSC 57463; |
| Density: | 1.578 g/cm3 |
| Boiling Point: | 313.2 °C at 760 mmHg |
| Flash Point: | 143.2 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 52.32000 |
| LogP: | 2.39910 |
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- Total:25 Page 1 of 1 1
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Specification
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