Basic information
- CAS
63104-32-5- Standard SMILES
Cc1cccc2cc3ccc4cccc5ccc(c12)c3c45- InChIKey
COOUMHVNORGIOH-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Names & identifiers
- Preferred name
- 10-Methylbenzo(a)pyrene
- IUPAC
- 10-methylbenzo[a]pyrene
- English name
- 10-Methylbenzo[a]pyrene
- Molecular formula
- C21H14
- Molecular weight
- 266.34
Names & synonyms
10-methylbenzo[a]pyrene10-Methylbenzo(a)pyrene63104-32-510-Monomethylbenzo(a)pyreneBENZO(a)PYRENE, 10-METHYL-CCRIS 24439GNA5H0ZAHBRN 1878306UNII-9GNA5H0ZAHDTXSID402124433-05-00-02530 (Beilstein Handbook Reference)RefChem:77580
Show more names
Benzo[a]pyrene, 10-methyl-AR-L13 10-METHYLBENZO(A)PYRENE10-Methylbenz[a]pyrene@50 μg/mL in Toluene
DTXCID40134934COOUMHVNORGIOH-UHFFFAOYSA-N10-Methylbenzo[pqr]tetraphene10-Methylbenz[a]pyreneAKOS024341222DB-301277NS00120774
Database identifiers
- CAS
63104-32-5- PubChem CID
- 44392
- DTXSID
DTXSID40212443- UNII
- 9GNA5H0ZAH
- EC Number
- 662-944-5
- Nikkaji
- J65.893F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 178.25 °C · 178.25°C
- Boiling point
- 509.54 °C · 509.54°C (rough estimate)
- Density
- 1.134 · 1.1340 (estimate)
- refractive index
- 1.853 · 1.8530 (estimate)
- FDA UNII
- 9 GNA5H0ZAH · 9GNA5H0ZAH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
INTRCHM-FLUR[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
SIGMAALDRICH—
AccuStandard Inc[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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