4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzenecarbaldehyde supplier

Name
4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZALDEHYDE
EINECS
CAS No. 95337-70-5
Article Data2
CAS DataBase
Density 1.04g/cm³
Solubility
Melting Point 82-85°C
Formula C₁₃H₁₃NO
Boiling Point 340.6 °C at 760 mmHg
Molecular Weight 199.252
Flash Point 159.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzaldehyde;4-(2,5-Dimethylpyrrol-1-yl)benzaldehyde;
PSA 22.00000
LogP 2.90660

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzenecarbaldehyde Specification

The 4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzenecarbaldehyde with the cas number 95337-70-5 is also called benzaldehyde, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-. Its molecular formula is C₁₃H₁₃NO. This chemical is irritant. When you use it ,please be careful.

The properties of the chemical are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.42; (4)ACD/LogD (pH 7.4): 3.42; (5)ACD/BCF (pH 5.5): 234.74; (6)ACD/BCF (pH 7.4): 234.74; (7)ACD/KOC (pH 5.5): 1731.71; (8)ACD/KOC (pH 7.4): 1731.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 61.79 cm³; (15)Molar Volume: 191.1 cm³; (16)Polarizability: 24.49×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Enthalpy of Vaporization: 58.42 kJ/mol ; (19)Vapour Pressure: 8.48E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)n2c(ccc2C)C
(2)InChI: InChI=1/C13H13NO/c1-10-3-4-11(2)14(10)13-7-5-12(9-15)6-8-13/h3-9H,1-2H3
(3)InChIKey: BYUCOWZETDGUAS-UHFFFAOYAX

Product Name

4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZALDEHYDE

4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzenecarbaldehyde Specification

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