2,4-Dimethylpyrrole - CAS 625-82-1
Catalog: |
BB031669 |
Product Name: |
2,4-Dimethylpyrrole |
CAS: |
625-82-1 |
Synonyms: |
2,4-dimethyl-1H-pyrrole |
IUPAC Name: | 2,4-dimethyl-1H-pyrrole |
Description: | 2,4-Dimethylpyrrole (CAS# 625-82-1) is a compound useful in organic synthesis. |
Molecular Weight: | 95.14 |
Molecular Formula: | C6H9N |
Canonical SMILES: | CC1=CC(=CN1)C |
InChI: | InChI=1S/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H3 |
InChI Key: | MFFMQGGZCLEMCI-UHFFFAOYSA-N |
Boiling Point: | 165-167 °C |
Density: | 0.924 g/cm3 |
Appearance: | Clear light yellow to light yellow-orange liquid |
MDL: | MFCD00192088 |
LogP: | 1.63150 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22590209 | 20120501 | 4,4-Difluoro-8-(4-iodo-phen-yl)-1,3,5,7-tetra-methyl-3a-aza-4a-azonia-4-borata-s-indacene | Acta crystallographica. Section E, Structure reports online |
22189135 | 20120115 | High-affinity fluorescent ligands for the 5-HT(3) receptor | Bioorganic & medicinal chemistry letters |
22259564 | 20120101 | {2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-κN)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-κN}difluoridoboron | Acta crystallographica. Section E, Structure reports online |
21754182 | 20110401 | 4-(4,4-Difluoro-1,3,5,7-tetra-methyl-3a-aza-4a-azonia-4-borata-s-indacen-8-yl)benzonitrile | Acta crystallographica. Section E, Structure reports online |
16143774 | 20050901 | Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 61.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 95.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 95.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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