Perimidine
Basic information
- CAS
204-02-4- Standard SMILES
C1=Nc2cccc3cccc(c23)N1- InChIKey
AAQTWLBJPNLKHT-UHFFFAOYSA-N- Molecular formula
- C11H8N2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.06874826
Overview
1H-perimidine is a perimidine. It is a tautomer of a 6H-perimidine, a 4H-perimidine and a 9bH-perimidine.
Names & identifiers
- Preferred name
- Perimidine
- IUPAC
- 1H-perimidine
- English name
- perimidine
- Molecular formula
- C11H8N2
- Molecular weight
- 168.19
Names & synonyms
1H-PerimidinePerimidine204-02-4Peri-naphthimidazoleCHEBI:36426DTXSID70174343RefChem:171768DTXCID7096834CHEBI:36430621-534-61H-Benzo(de)quinazolineMFCD00024145
Show more names
Benzo[de]quinazoline1,3-Diaza-1H-phenaleneBRN 0129318SCHEMBL81125-23-08-00212 (Beilstein Handbook Reference)SCHEMBL194388SCHEMBL249365SCHEMBL1395832
Database identifiers
- CAS
204-02-4- PubChem CID
- 120189
- DTXSID
DTXSID70174343- ChEMBL
CHEMBL3717833- ChEBI
CHEBI:36426- EC Number
- 621-534-6
- Nikkaji
- J6.133F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 223 °C · 223°C
- Boiling point
- 287.13 °C · 287.13°C (rough estimate)
- Density
- 1.1722 · 1.1722 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- 6.35 · 6.35(at 20℃)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Additional notes
DefinitionChEBI: 1H-perimidine is a perimidine. It is a tautomer of a 4H-perimidine, a 6H-perimidine and a 9bH-perimidine.
Related reactions
1 records
Compound notes
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