Basic information
- CAS
767-76-0- Standard SMILES
Cc1c(C)c(C)n(C)c1C- InChIKey
IQBFHKGECNYUMS-UHFFFAOYSA-N- Molecular formula
- C9H15N
- Average molar mass
- 137.22 g/mol
- Monoisotopic mass
- 137.12044948
Names & identifiers
- Preferred name
- 1,2,3,4,5-pentamethyl-1H-pyrrole
- IUPAC
- 1,2,3,4,5-pentamethylpyrrole
- English name
- 1,2,3,4,5-pentamethyl-1H-pyrrole
- Molecular formula
- C9H15N
- Molecular weight
- 137.22
Names & synonyms
1,2,3,4,5-Pentamethyl-1H-pyrrole767-76-0EINECS 212-188-3DTXSID30227501NSC 65654RefChem:71259DTXCID90149992212-188-3U5S3XX7F7HNSC-656541,2,3,4,5-pentamethylpyrrolePentamethylpyrrol
Show more names
NSC65654UNII-U5S3XX7F7HSCHEMBL77684IQBFHKGECNYUMS-UHFFFAOYSA-NAKOS0062724601H-Pyrrole, 1,2,3,4,5-pentamethyl-NS00037840
Database identifiers
- CAS
767-76-0- PubChem CID
- 69847
- DTXSID
DTXSID30227501- UNII
- U5S3XX7F7H
- EC Number
- 212-188-3
- Nikkaji
- J193.145H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 71 °C · 71 °C
- Boiling point
- 226 · 226.0±9.0 °C(Predicted)
- Density
- 0.88 · 0.88±0.1 g/cm3(Predicted)
- pka
- 0.86 · 0.86±0.70(Predicted)
- FDA UNII
- 5 S3XX7F7H · U5S3XX7F7H
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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