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Ethyl 2-chloro-5-nitrobenzoate

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Name

Ethyl 2-chloro-5-nitrobenzoate

EINECS N/A
CAS No. 16588-17-3 Density 1.369 g/cm3
PSA 72.12000 LogP 2.94810
Solubility N/A Melting Point N/A
Formula C9H8ClNO4 Boiling Point 329.5 °C at 760 mmHg
Molecular Weight 229.62 Flash Point 153.1 °C
Transport Information N/A Appearance Pale yellow crystal powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16588-17-3 (Ethyl 2-chloro-5-nitrobenzoate) Hazard Symbols IrritantXi
Synonyms

2-Chloro-5-nitrobenzoicacid ethyl ester;

Article Data 10

Ethyl 2-chloro-5-nitrobenzoate Specification

The Benzoic acid,2-chloro-5-nitro-, ethyl ester, with the CAS registry number 16588-17-3, is also known as 2-Chloro-5-nitro-benzoic acid ethyl ester. It belongs to the product categories of Esters; Phenyls & Phenyl-Het. This chemical's molecular formula is C9H8ClNO4 and molecular weight is 229.61. Its systematic name is called ethyl 2-chloro-5-nitrobenzoate. 

Physical properties of Benzoic acid,2-chloro-5-nitro-, ethyl ester: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.36; (6)ACD/BCF (pH 7.4): 65.36; (7)ACD/KOC (pH 5.5): 693.47; (8)ACD/KOC (pH 7.4): 693.47; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 54.09 cm3; (14)Molar Volume: 167.6 cm3; (15)Surface Tension: 48.8 dyne/cm; (16)Density: 1.369 g/cm3; (17)Flash Point: 153.1 °C; (18)Enthalpy of Vaporization: 57.2 kJ/mol; (19)Boiling Point: 329.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000177 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(ccc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C9H8ClNO4/c1-2-15-9(12)7-5-6(11(13)14)3-4-8(7)10/h3-5H,2H2,1H3
(3)InChIKey: JXOMCDVAPASMML-UHFFFAOYAT

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