1H-Pyrrole-2,3-dicarboxylicacid, 1-(2-chloroethyl)- supplier

Name
1-(2-chloroethyl)-1Hpyrrole-2,3-dicarboxylic acid
EINECS
CAS No. 944709-39-1
Density 1.53 g/cm³
Solubility
Melting Point
Formula C₈H₈ClNO₄
Boiling Point 446.3 °C at 760 mmHg
Molecular Weight 217.61
Flash Point 223.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-Chloroethyl)-1H-pyrrole-2,3-dicarboxylic acid;1-(2-Chloroethyl)pyrrole-2,3-dicarboxylic acid;
PSA 79.53000
LogP 1.12330

1H-Pyrrole-2,3-dicarboxylicacid, 1-(2-chloroethyl)- Specification

The 1H-Pyrrole-2,3-dicarboxylicacid, 1-(2-chloroethyl)-, with the CAS registry number 944709-39-1, is also known as 1-(2-Chloroethyl)-1H-pyrrole-2,3-dicarboxylic acid. This chemical's molecular formula is C₈H₈ClNO₄ and molecular weight is 217.61. What's more, its systematic name is 1-(2-Chloroethyl)pyrrole-2,3-dicarboxylic acid.

Physical properties of 1H-Pyrrole-2,3-dicarboxylicacid, 1-(2-chloroethyl)- are: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.53 Å²; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 48.82 cm³; (9)Molar Volume: 142.1 cm³; (10)Polarizability: 19.35×10^-24cm³; (11)Surface Tension: 59.1 dyne/cm; (12)Density: 1.53 g/cm³; (13)Flash Point: 223.7 °C; (14)Enthalpy of Vaporization: 74.24 kJ/mol; (15)Boiling Point: 446.3 °C at 760 mmHg; (16)Vapour Pressure: 9.54E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCn1ccc(C(O)=O)c1C(O)=O
(2)InChI: InChI=1S/C8H8ClNO4/c9-2-4-10-3-1-5(7(11)12)6(10)8(13)14/h1,3H,2,4H2,(H,11,12)(H,13,14)
(3)InChIKey: FLMNQXCXLLLKCQ-UHFFFAOYSA-N

Product Name

1-(2-chloroethyl)-1Hpyrrole-2,3-dicarboxylic acid

1H-Pyrrole-2,3-dicarboxylicacid, 1-(2-chloroethyl)- Specification

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