Benzoic acid,5-amino-2-bromo-, methyl ester supplier

Name
5-AMINO-2-BROMO-BENZOIC ACID METHYL ESTER
EINECS
CAS No. 6942-37-6
Article Data24
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point
Formula C₈H₈BrNO₂
Boiling Point 313.2 °C at 760 mmHg
Molecular Weight 230.061
Flash Point 143.2 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 5-Amino-2-bromobenzoicacid methyl ester;Methyl 5-amino-2-bromobenzoate;NSC 57463;
PSA 52.32000
LogP 2.39910

Benzoic acid,5-amino-2-bromo-, methyl ester 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^-24cm³; (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

Product Name

5-AMINO-2-BROMO-BENZOIC ACID METHYL ESTER

Benzoic acid,5-amino-2-bromo-, methyl ester Specification

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