Benzoicacid, 3-bromo-5-nitro-, ethyl ester supplier

Name
Ethyl 3-bromo-5-nitrobenzoate
EINECS
CAS No. 690260-94-7
Article Data7
CAS DataBase
Density 1.594 g/cm³
Solubility
Melting Point
Formula C₉H₈BrNO₄
Boiling Point 338.7 °C at 760 mmHg
Molecular Weight 274.071
Flash Point 158.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl 3-bromo-5-nitrobenzoate;
PSA 72.12000
LogP 3.05720

Benzoicacid, 3-bromo-5-nitro-, ethyl ester Specification

The Benzoicacid, 3-bromo-5-nitro-, ethyl ester, with the CAS registry number 690260-94-7, is also known as Ethyl 3-bromo-5-nitrobenzoate. It belongs to the product categories of Blocks; Bromides; Carboxes. This chemical's molecular formula is C₉H₈BrNO₄ and molecular weight is 274.06812. When you are dealing with this chemical, you should be very careful. This chemical is irritating to skin or other mucous membranes.

Physical properties about Benzoicacid, 3-bromo-5-nitro-, ethyl ester are: (1)ACD/LogP: 2.84; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 72.12 Å²; (9)Index of Refraction: 1.576; (10)Molar Refractivity: 56.89 cm³; (11)Molar Volume: 171.8 cm³; (12)Surface Tension: 50.3 dyne/cm; (13)Density: 1.594 g/cm³; (14)Flash Point: 158.6 °C; (15)Enthalpy of Vaporization: 58.2 kJ/mol; (16)Boiling Point: 338.7 °C at 760 mmHg; (17)Vapour Pressure: 9.68E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cc(cc(c1)Br)[N+](=O)[O-]
(2) InChI: InChI=1/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3
(3) InChIKey: PUBVWGDKFHIPRR-UHFFFAOYAE

Product Name

Ethyl 3-bromo-5-nitrobenzoate

Benzoicacid, 3-bromo-5-nitro-, ethyl ester Specification

Related Products

Hot Products