Benzoic acid,4-amino-2-nitro-, ethyl ester supplier

Name
4-AMINO-2-NITRO-BENZOIC ACID ETHYL ESTER
EINECS
CAS No. 84228-46-6
Article Data4
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O₄
Boiling Point 397.6 °C at 760 mmHg
Molecular Weight 210.189
Flash Point 194.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-2-nitrobenzoicacid ethyl ester;Ethyl 4-amino-2-nitrobenzoate;
PSA 98.14000
LogP 2.45810

Benzoic acid,4-amino-2-nitro-, ethyl ester Specification

The Benzoic acid,4-amino-2-nitro-, ethyl ester, with the CAS registry number 84228-46-6, is also known as 4-Amino-2-nitrobenzoicacid ethyl ester. It belongs to the product categories of Aromatic Esters; API Intermediates; Aromatic Building Blocks. This chemical's molecular formula is C₉H₁₀N₂O₄ and molecular weight is 210.19. What's more, its systematic name is Ethyl 4-amino-2-nitrobenzoate.

Physical properties about 1,2-Benzenedimethanamine,N1,N1-diethyl- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.6; (6)ACD/BCF (pH 7.4): 23.6; (7)ACD/KOC (pH 5.5): 334.41; (8)ACD/KOC (pH 7.4): 334.43; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 98.14Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 53.44 cm³; (15)Molar Volume: 157.9 cm³; (16)Surface Tension: 56.5 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 194.3 °C; (19)Enthalpy of Vaporization: 64.81 kJ/mol; (20)Boiling Point: 397.6 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(N)ccc1C(=O)OCC
(2) InChI: InChI=1/C9H10N2O4/c1-2-15-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2,10H2,1H3
(3) InChIKey: YOMQIQZTFBDFSR-UHFFFAOYAS

Product Name

4-AMINO-2-NITRO-BENZOIC ACID ETHYL ESTER

Benzoic acid,4-amino-2-nitro-, ethyl ester Specification

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