Basic information
- CAS
203-65-6- Standard SMILES
c1cc2ccc3cccc4[nH]c(c1)c2c34- InChIKey
VQOUCGZKKPJLGH-UHFFFAOYSA-N- Molecular formula
- C14H9N
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.07349929
Names & identifiers
- Preferred name
- 4,5-Epiminophenanthrene
- IUPAC
- 15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
- English name
- 4,5-epiminophenanthrene
- Molecular formula
- C14H9N
- Molecular weight
- 191.23
Names & synonyms
4H-Benzo[def]carbazole4,5-Iminophenanthrene4,5-Epiminophenanthrene4H-BENZO(DEF)CARBAZOLEEINECS 205-906-1RefChem:507874205-906-1203-65-615-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaeneBenzo[def]carbazoleSCHEMBL3727430SCHEMBL29671006
Show more names
VQOUCGZKKPJLGH-UHFFFAOYSA-N
DTXSID209424384,5-Iminophenanthrene (form 1)MFCD02316986AKOS024376335AT37037SY311831DB-184265NS00041818
Database identifiers
- CAS
203-65-6- PubChem CID
- 9148
- DTXSID
DTXSID20942438- EC Number
- 205-906-1
- Nikkaji
- J193.677H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 173 · 173-174 °C(Solv: Do not display any solvent name:::mixture (No Ma-tc-h))
- Boiling point
- 391.2 · 391.2±11.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- pka
- 17 · 17.00±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H413
- 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, P273, 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
- H319-H315-H335-H413
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4,5-Iminophenanthrene is one of the volatile components found in tobacco smoke, and is also a suspected carcinogen.
Suppliers8 total
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
苏州杉洋新材料有限公司0512-63268889 18506119477 · [email protected]
河北奥轩进出口贸易有限公司17073140108
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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