Name: Ethyl 2-bromo-3-nitrobenzoate
SKU: 31706-23-7

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Basic Information

Molecular Structure:
CAS No.:	31706-23-7
Name:	Ethyl 2-bromo-3-nitrobenzoate
Article Data:	4

Formula:	C₉H₈BrNO₄
Molecular Weight:	274.07
Synonyms:	2-Bromo-3-nitrobenzoic acid ethyl ester;
Density:	1.594 g/cm³
Melting Point:	38 °C
Boiling Point:	314.5 °C at 760 mmHg
Flash Point:	144 °C
PSA:	72.12000
LogP:	3.05720

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Chemistry

Molecular Structure of Ethyl 2-bromo-3-nitrobenzoate (CAS No.31706-23-7):

Molecular Formula: C₉H₈BrNO₄
Molecular Weight: 274.07
IUPAC Name: Ethyl 2-bromo-3-nitrobenzoate
CAS No: 31706-23-7
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 72.12 Å²
Index of Refraction: 1.576
Molar Refractivity: 56.89 cm³
Molar Volume: 171.8 cm³
Surface Tension: 50.3 dyne/cm
Density: 1.594 g/cm³
Flash Point: 144 °C
Enthalpy of Vaporization: 55.57 kJ/mol
Boiling Point: 314.5 °C at 760 mmHg
Vapour Pressure of Ethyl 2-bromo-3-nitrobenzoate (CAS No.31706-23-7): 0.000463 mmHg at 25°C
Canonical SMILES: CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br
InChI: InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3
InChIKey: WTNZOABLVURCTP-UHFFFAOYSA-N

Specification

Ethyl 2-bromo-3-nitrobenzoate (CAS No.31706-23-7), it also can be called 2-Bromo-3-nitrobenzoic acid ethyl ester ; Benzoic acid, 2-bromo-3-nitro-, ethyl ester .