Ethyl 2-bromo-5-nitrobenzoate supplier

Name
Ethyl 2-bromo-5-nitrobenzoate
EINECS
CAS No. 208176-31-2
Article Data3
CAS DataBase
Density 1.594 g/cm³
Solubility
Melting Point
Formula C₉H₈BrNO₄
Boiling Point 339.3 °C at 760 mmHg
Molecular Weight 274.0681
Flash Point 159 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromo-5-nitrobenzoic acid ethyl ester;Ethyl 2-bromo-5-nitrobenzoate;
PSA 72.12000
LogP 3.05720

Ethyl 2-bromo-5-nitrobenzoate Specification

The Ethyl 2-bromo-5-nitrobenzoate, with the CAS registry number 208176-31-2, is also known as 2-Bromo-5-nitrobenzoic acid ethyl ester. This chemical's molecular formula is C₉H₈BrNO₄ and molecular weight is 274.0681. What's more, its systematic name is Ethyl 2-bromo-5-nitrobenzoate.

Physical properties about Ethyl 2-bromo-5-nitrobenzoate are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.27; (6)ACD/BCF (pH 7.4): 49.27; (7)ACD/KOC (pH 5.5): 566.43; (8)ACD/KOC (pH 7.4): 566.43; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 56.89 cm³; (15)Molar Volume: 171.8 cm³; (16)Polarizability: 22.55×10^-24 cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.594 g/cm³; (19)Flash Point: 159 °C; (20)Enthalpy of Vaporization: 58.27 kJ/mol; (21)Boiling Point: 339.3 °C at 760 mmHg; (22)Vapour Pressure: 9.27E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cc(ccc1Br)N(=O)=O
(2) InChI: InChI=1/C9H8BrNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3
(3) InChIKey: YCHNRCVNPZZVED-UHFFFAOYAX

Product Name

Ethyl 2-bromo-5-nitrobenzoate

Ethyl 2-bromo-5-nitrobenzoate Specification

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