Benzoicacid, 4-cyano-3-nitro-, ethyl ester supplier

Name
ETHYL 4-CYANO-3-NITROBENZOATE
EINECS
CAS No. 321162-58-7
Article Data2
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₄
Boiling Point 400.79 °C at 760 mmHg
Molecular Weight 220.185
Flash Point 196.191 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 4-cyano-3-nitro-benzoate;
PSA 95.91000
LogP 2.16638

Benzoicacid, 4-cyano-3-nitro-, ethyl ester Specification

The Benzoicacid, 4-cyano-3-nitro-, ethyl ester has the CAS registry number 321162-58-7. This chemical's molecular formula is C₁₀H₈N₂O₄ and molecular weight is 220.18. What's more, its systematic name is Ethyl 4-cyano-3-nitro-benzoate and it belongs to the product categories of Aromatic Esters.

Physical properties of Benzoicacid, 4-cyano-3-nitro-, ethyl ester are: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.937; (6)ACD/BCF (pH 7.4): 5.937; (7)ACD/KOC (pH 5.5): 124.544; (8)ACD/KOC (pH 7.4): 124.544; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 95.91 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 53.097 cm³; (15)Molar Volume: 164.407 cm³; (16)Polarizability: 21.049×10^-24cm³; (17)Surface Tension: 58.16 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 196.191 °C; (20)Enthalpy of Vaporization: 65.171 kJ/mol; (21)Boiling Point: 400.79 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])C#N
(2)InChI: InChI=1/C10H8N2O4/c1-2-16-10(13)7-3-4-8(6-11)9(5-7)12(14)15/h3-5H,2H2,1H3
(3)InChIKey: MGNXPEPCKZZLQP-UHFFFAOYSA-N

Product Name

ETHYL 4-CYANO-3-NITROBENZOATE

Benzoicacid, 4-cyano-3-nitro-, ethyl ester Specification

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