Benzoicacid, 3-bromo-4-nitro-, methyl ester supplier

Name
Methyl 3-broMo-4-nitrobenzoate
EINECS
CAS No. 126759-30-6
Article Data2
CAS DataBase
Density 1.674 g/cm³
Solubility
Melting Point
Formula C₈H₆BrNO₄
Boiling Point 319.355 °C at 760 mmHg
Molecular Weight 260.044
Flash Point 146.941 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 3-bromo-4-nitrobenzoate;
PSA 72.12000
LogP 2.66710

Benzoicacid, 3-bromo-4-nitro-, methyl ester Specification

The Benzoicacid, 3-bromo-4-nitro-, methyl ester has the CAS registry number 126759-30-6. This chemical's molecular formula is C₈H₆BrNO₄ and molecular weight is 260.04. What's more, its systematic name is Methyl 3-bromo-4-nitrobenzoate.

Physical properties of Benzoicacid, 3-bromo-4-nitro-, methyl ester are: (1)ACD/LogP: 2.52; (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): 32; (6)ACD/BCF (pH 7.4): 32; (7)ACD/KOC (pH 5.5): 414; (8)ACD/KOC (pH 7.4): 414; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 52.262 cm³; (15)Molar Volume: 155.353 cm³; (16)Polarizability: 20.718×10^-24cm³; (17)Surface Tension: 52.463 dyne/cm; (18)Density: 1.674 g/cm³; (19)Flash Point: 146.941 °C; (20)Enthalpy of Vaporization: 56.093 kJ/mol; (21)Boiling Point: 319.355 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(cc1Br)C(=O)OC
(2)InChI: InChI=1/C8H6BrNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
(3)InChIKey: JZNGTPNMJBXBIJ-UHFFFAOYSA-N

Product Name

Methyl 3-broMo-4-nitrobenzoate

Benzoicacid, 3-bromo-4-nitro-, methyl ester Specification

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