Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrrole-3-carboxylicacid, 1,2,5-trimethyl- |
EINECS | N/A |
CAS No. | 175276-50-3 | Density | 1.13 g/cm3 |
PSA | 42.23000 | LogP | 1.34010 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11NO2 | Boiling Point | 301.8 °C at 760 mmHg |
Molecular Weight | 153.181 | Flash Point | 136.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,2,5-Trimethyl-1H-pyrrole-3-carboxylicacid;1,2,5-Trimethylpyrrole-3-carboxylic acid;1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid;1H-pyrrole-3-carboxylic acid, 1,2,5-trimethyl-; |
The 1H-Pyrrole-3-carboxylicacid, 1,2,5-trimethyl-, with the CAS registry number 175276-50-3, has the systematic name of 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid. It belongs to the product category of Carboxylic acid, and the molecular formula of the chemical is C8H11NO2.
The characteristics of 1H-Pyrrole-3-carboxylicacid, 1,2,5-trimethyl- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 0.36; (5)ACD/BCF (pH 5.5): 10.3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 169.71; (8)ACD/KOC (pH 7.4): 8.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 41.96 cm3; (15)Molar Volume: 135.4 cm3; (16)Polarizability: 16.63×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 136.3 °C; (20)Enthalpy of Vaporization: 57.23 kJ/mol; (21)Boiling Point: 301.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000455 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(n(c(c1)C)C)C
(2)InChI: InChI=1/C8H11NO2/c1-5-4-7(8(10)11)6(2)9(5)3/h4H,1-3H3,(H,10,11)
(3)InChIKey: JTEBLTWGSAXWEE-UHFFFAOYAX