CAS No.16588-17-3,Ethyl 2-chloro-5-nitrobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16588-17-3
Name:	Ethyl 2-chloro-5-nitrobenzoate
Article Data:	10

Formula:	C₉H₈ClNO₄
Molecular Weight:	229.62
Synonyms:	2-Chloro-5-nitrobenzoicacid ethyl ester;
Density:	1.369 g/cm³
Boiling Point:	329.5 °C at 760 mmHg
Flash Point:	153.1 °C
Appearance:	Pale yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	72.12000
LogP:	2.94810

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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