Basic information
- CAS
636-41-9- Standard SMILES
Cc1ccc[nH]1- InChIKey
TVCXVUHHCUYLGX-UHFFFAOYSA-N- Molecular formula
- C5H7N
- Average molar mass
- 81.12 g/mol
- Monoisotopic mass
- 81.05784923
Overview
2-Methylpyrrole is a member of pyrroles.
Names & identifiers
- Preferred name
- 2-Methylpyrrole
- IUPAC
- 2-methyl-1H-pyrrole
- English name
- 2-Methyl-1H-pyrrole
- Molecular formula
- C5H7N
- Molecular weight
- 81.12
Names & synonyms
2-Methyl-1H-pyrrole636-41-92-METHYLPYRROLE1H-Pyrrole, 2-methyl-Pyrrole, 2-methyl-alpha-MethylpyrroleEINECS 211-255-4NSC 81346486RY4814ODTXSID70212976NSC-81346RefChem:476249
Show more names
2-Methyl-1H-pyrazoleLABOTEST-BB LT00106337
Pyrrole, 2-methyl-(8CI)1H-Pyrrole, 2-methyl-(9CI)DTXCID00135467211-255-4MFCD028229102-Methylpyrolle2-Methyl pyrrole.alpha.-Methylpyrrole
Database identifiers
- CAS
636-41-9- PubChem CID
- 12489
- DTXSID
DTXSID70212976- ChEBI
CHEBI:193616- UNII
- 486RY4814O
- EC Number
- 211-255-4
- Nikkaji
- J96.168J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 43.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Melting Point-35.6 °C
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -35.6 °C · -35.6°C
- Boiling point
- 147 ℃ · 147℃
- Density
- 0.965 · 0.965
- refractive index
- 1.5035 · 1.5035
- Flash point
- 47 ℃ · 47℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Methanol
- pka
- 17.73 · 17.73±0.50(Predicted)
- form
- Oil
- color
- Yellow
- Stability
- Volatile
- InChI
- InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
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
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, 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. 3 (100%)
Safety data
- ridadr
- UN1992
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_class
- 3, 6.1
- Hazard statements
- H225-H301-H315-H319-H332-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P301+P310-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses2-Methylpyrrole was used as one of the starting materials for synthesizing boron-dipyrromethene dyes for incorporation in synthetic multi-pigment light-harvesting arrays. Acid-promoted condensations of benzaldehyde with methylpyrrole gives dipyrromethens and their borondipyrromethene analogs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers96 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
8 records
Compound notes
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