Basic information
- CAS
2199-41-9- Standard SMILES
Cc1cc(C)c(C)[nH]1- InChIKey
VIDOWPWTFHJVID-UHFFFAOYSA-N- Molecular formula
- C7H11N
- Average molar mass
- 109.17 g/mol
- Monoisotopic mass
- 109.08914936
Names & identifiers
- Preferred name
- 1H-Pyrrole, 2,3,5-trimethyl-
- IUPAC
- 2,3,5-trimethyl-1H-pyrrole
- English name
- 2,3,5-Trimethyl-1H-pyrrole
- Molecular formula
- C7H11N
- Molecular weight
- 109.17
Names & synonyms
2,3,5-TRIMETHYL-1H-PYRROLE2199-41-91H-Pyrrole, 2,3,5-trimethyl-DTXSID0073954NSC 211492RefChem:439166DTXCID7036587973-451-22,3,5-trimethylpyrroleNSC211492SCHEMBL332701H-Pyrrole,3,5-trimethyl-
Show more names
2,3,5-trimethyl-1H-pyrrolpyrrole, 2,3,5-trimethyl-SCHEMBL5256718SCHEMBL7025941SCHEMBL28229258VIDOWPWTFHJVID-UHFFFAOYSA-N2,3,5-Trimethyl-1H-pyrrole #NSC-211492
Database identifiers
- CAS
2199-41-9- PubChem CID
- 16620
- DTXSID
DTXSID0073954- EC Number
- 973-451-2
- Nikkaji
- J121.877H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- EPA Substance Registry System
- 1 H-Pyrrole, · 1H-Pyrrole, 2,3,5-trimethyl- (2199-41-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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