Basic information
- CAS
195-19-7- Standard SMILES
c1ccc2c(c1)ccc1ccc3ccccc3c12- InChIKey
TUAHORSUHVUKBD-UHFFFAOYSA-N- Molecular formula
- C18H12
- Average molar mass
- 228.3 g/mol
- Monoisotopic mass
- 228.09390038
Overview
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.
Names & identifiers
- Preferred name
- Benzo(c)phenanthrene
- IUPAC
- benzo[c]phenanthrene
- English name
- Benzo(c)phenanthrene
- Molecular formula
- C18H12
- Molecular weight
- 228.29
Names & synonyms
Benzo[c]phenanthrene195-19-7BENZO(C)PHENANTHRENETetrahelicene3,4-Benzophenanthrene3,4-BenzphenanthreneH22XVR3V8ADTXSID4075459CHEBI:82292RefChem:565192DTXCID3036109205-896-9
Show more names
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
Database identifiers
- CAS
195-19-7- PubChem CID
- 9136
- DTXSID
DTXSID4075459- ChEBI
CHEBI:82292- UNII
- H22XVR3V8A
- EC Number
- 205-896-9
- Nikkaji
- J5.880G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.00000067 [mmHg]
Physical DescriptionSolid; [Merck Index]
Physicochemical properties
- Melting point
- 158 · 158-160℃
- Boiling point
- 305.1 °C · 305.1°C (rough estimate)
- Density
- 1.1209 · 1.1209 (estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly)
- color
- Needles from EtOH or pet ether
- BRN
- 1909296 · 1909296
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 (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]
Hazard information
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
Toxicology
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
Chemistry & industry
Pharmacology
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.
Applications
UsesBenzo(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.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers65 total
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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