| Identification | Back Directory | [Name]
1H-Pyrrole-3-acetic acid, 1-(2,6-dimethylphenyl)-2,5-dimethyl- | [CAS]
42780-38-1 | [Synonyms]
1H-Pyrrole-3-acetic acid, 1-(2,6-dimethylphenyl)-2,5-dimethyl- | [Molecular Formula]
C16H19NO2 | [MOL File]
42780-38-1.mol | [Molecular Weight]
257.33 |
| Chemical Properties | Back Directory | [Boiling point ]
435.4±45.0 °C(Predicted) | [density ]
1.09±0.1 g/cm3(Predicted) | [form ]
solid | [pka]
4.39±0.10(Predicted) | [InChI]
1S/C16H19NO2/c1-10-6-5-7-11(2)16(10)17-12(3)8-14(13(17)4)9-15(18)19/h5-8H,9H2,1-4H3,(H,18,19) | [InChIKey]
PCZKMWDKTYOJDC-UHFFFAOYSA-N | [SMILES]
CC1=CC(CC(O)=O)=C(C)N1C2=C(C)C=CC=C2C |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Skin Sens. 1 |
|
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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