Grundinformationen
- CAS
195-19-7- Standard-SMILES
c1ccc2c(c1)ccc1ccc3ccccc3c12- InChIKey
TUAHORSUHVUKBD-UHFFFAOYSA-N- Summenformel
- C18H12
- Durchschnittliche Molmasse
- 228,3 g/mol
- Monoisotopische Masse
- 228,09390038
Überblick
Benzo[c]phenanthrene is an ortho-fused polycyclic arene resulting from the symmetrical fusion of the C1-C2 bonds of two naphthalene units. It is a benzenoid aromatic compound and an ortho-fused polycyclic arene.
Namen und Bezeichner
- Bevorzugter Name
- Benzo(c)phenanthrene
- IUPAC
- benzo[c]phenanthrene
- Lokaler Name
- Benzo[c]phenanthren
- Englischer Name
- Benzo(c)phenanthrene
- Summenformel
- C18H12
- Molmasse
- 228.29
Namen und Synonyme
Benzo[c]phenanthrene195-19-7BENZO(C)PHENANTHRENETetrahelicene3,4-Benzophenanthrene3,4-BenzphenanthreneH22XVR3V8ADTXSID4075459CHEBI:82292RefChem:565192DTXCID3036109205-896-9
Weitere Namen anzeigen
Zavegepant Impurity 63,4-Benzo[c]phenthrene3,4-Benzo[c]phenanthreneAR-G 3 BENZO(C)PHENANTHRENEBenzo[c]phenanthrene (purity)
MFCD00019126Benzo-3,4-phenanthreneBENZO (c) PHENANTHRENE (purity)EINECS 205-896-9UNII-H22XVR3V8ABRN 1909296BcPhSCHEMBL144610
Datenbank-Bezeichner
- CAS
195-19-7- PubChem CID
- 9136
- DTXSID
DTXSID4075459- ChEBI
CHEBI:82292- UNII
- H22XVR3V8A
- EC Number
- 205-896-9
- Nikkaji
- J5.880G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 266
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.00000067 [mmHg]
Physical DescriptionSolid; [Merck Index]
Physikochemische Eigenschaften
- Schmelzpunkt
- 158 · 158-160℃
- Siedepunkt
- 305.1 °C · 305.1°C (rough estimate)
- Dichte
- 1.1209 · 1.1209 (estimate)
- Brechungsindex
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Acetonitrile (Slightly), Chloroform (Slightly)
- Farbe
- Needles from EtOH or pet ether
- BRN
- 1909296 · 1909296
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (76.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H351: Suspected of causing cancer [Warning Carcinogenicity]
Gefahrenhinweise
Regulatory InformationHazard Traits - Carcinogenicity
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion, inhalation, and skin absorption; Possible carcinogen; [Sigma-Aldrich MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and Categories
Acute Tox. 4 (76.4%)
Carcinogenicity - Category 2
Toxikologische Informationen
Adverse EffectsIARC Carcinogen - Class 3: Chemicals are not classifiable by the International Agency for Research on Cancer.
Carcinogen Classification
Benzo[c]phenanthrene
Group 2B: Possibly carcinogenic to humans
Volume 92: (2010) Some Non-heterocyclic Polycyclic Aromatic Hydrocarbons and Some Related Exposures
2010
2005
NB Overall evaluation upgraded to Group 2B with supporting evidence from other relevant data
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Anwendungen
VerwendenBenzo(c)phenanthrene is a PAH metabolite having a toxic effect on fish bone metabolite. Also, it is used as a marker of the carcinogenic potency of the polycyclic aromatic hydrocarbons (PAH) mixture. A genotoxic agent.
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