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2-Propenoic acid,3-(2-chloro-5-nitrophenyl)-

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Name

2-Propenoic acid,3-(2-chloro-5-nitrophenyl)-

EINECS N/A
CAS No. 36015-19-7 Density 1.529 g/cm3
PSA 83.12000 LogP 2.86920
Solubility N/A Melting Point 218-222 °C
Formula C9H6ClNO4 Boiling Point 401.7 °C at 760 mmHg
Molecular Weight 227.604 Flash Point 196.7 °C
Transport Information N/A Appearance light beige crystalline powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 36015-19-7 (2-CHLORO-5-NITROCINNAMIC ACID) Hazard Symbols IrritantXi
Synonyms

Cinnamicacid, 2-chloro-5-nitro- (5CI);2-Chloro-5-nitrocinnamic acid;

 

2-Propenoic acid,3-(2-chloro-5-nitrophenyl)- Specification

The 2-Propenoic acid,3-(2-chloro-5-nitrophenyl)- is an organic compound with the formula C9H6ClNO4. The systematic name of this chemical is (2E)-3-(2-chloro-5-nitrophenyl)prop-2-enoic acid. With the CAS registry number 36015-19-7, it is also named as 3-(2-chloro-5-nitrophenyl)acrylic acid. The product's categories are Aromatic Cinnamic Acids, Esters and Derivatives. Besides, it is a light beige crystalline powder, which should be stored in a closed cool and well-ventilated place.

Physical properties about 2-Propenoic acid,3-(2-chloro-5-nitrophenyl)- are: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 0.56; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 72.12 Å2; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 55.14 cm3; (14)Molar Volume: 148.8 cm3; (15)Polarizability: 21.86×10-24cm3; (16)Surface Tension: 65.4 dyne/cm; (17)Density: 1.529 g/cm3; (18)Flash Point: 196.7 °C; (19)Enthalpy of Vaporization: 68.83 kJ/mol; (20)Boiling Point: 401.7 °C at 760 mmHg; (21)Vapour Pressure: 3.57E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1/C=C/C(=O)O)[N+]([O-])=O
(2)InChI: InChI=1/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
(3)InChIKey: IHTLKLSRRSWIGD-DAFODLJHBV
(4)Std. InChI: InChI=1S/C9H6ClNO4/c10-8-3-2-7(11(14)15)5-6(8)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
(5)Std. InChIKey: IHTLKLSRRSWIGD-DAFODLJHSA-N

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