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CAS No.: | 37560-50-2 |
---|---|
Name: | 1-(4-CHLOROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H8ClNO |
Molecular Weight: | 205.644 |
Synonyms: | 1-(4-Chlorophenyl)-2-pyrrolecarboxaldehyde;1-(4-Chlorophenyl)-1H-pyrrole-2-carboxaldehyde; |
Density: | 1.21 g/cm3 |
Boiling Point: | 335.676 °C at 760 mmHg |
Flash Point: | 156.811 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 22.00000 |
LogP: | 2.94320 |
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The 1H-Pyrrole-2-carboxaldehyde,1-(4-chlorophenyl)- is an organic compound with the formula C11H8ClNO. The IUPAC name of this chemical is 1-(4-chlorophenyl)pyrrole-2-carbaldehyde. With the CAS registry number 37560-50-2, it is also named as 1-(4-chlorophenyl)-1H-pyrrole-2-carbaldehyde. The product's categories are Aldehydes; Pyrroles & Indoles; Pyrroles & Indoles.
Physical properties about 1H-Pyrrole-2-carboxaldehyde,1-(4-chlorophenyl)- are: (1)ACD/LogP: 3.37; (2)ACD/LogD (pH 5.5): 3.373; (3)ACD/LogD (pH 7.4): 3.373; (4)ACD/BCF (pH 5.5): 215.566; (5)ACD/BCF (pH 7.4): 215.566; (6)ACD/KOC (pH 5.5): 1629.233; (7)ACD/KOC (pH 7.4): 1629.233; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 22 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 57.548 cm3; (13)Molar Volume: 170.002 cm3; (14)Polarizability: 22.814 10-24cm3; (15)Surface Tension: 44.102 dyne/cm; (16)Density: 1.21 g/cm3; (17)Flash Point: 156.811 °C; (18)Enthalpy of Vaporization: 57.876 kJ/mol; (19)Boiling Point: 335.676 °C at 760 mmHg.
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, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(n(c1)c2ccc(cc2)Cl)C=O
(2)InChI: InChI=1/C11H8ClNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
(3)InChIKey: NNQOVJLQFYROBU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H8ClNO/c12-9-3-5-10(6-4-9)13-7-1-2-11(13)8-14/h1-8H
(5)Std. InChIKey: NNQOVJLQFYROBU-UHFFFAOYSA-N