Basic information
- CAS
63041-76-9- Standard SMILES
Cc1ccc2c(c1)cc1ccc3cccc4ccc2c1c34- InChIKey
DYXXRXZXTKRLFX-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-Methylbenzo(a)pyrene
- IUPAC
- 8-methylbenzo[a]pyrene
- English name
- 8-methylbenzo(a)pyrene
- Molecular formula
- C21H14
- Molecular weight
- 266.34
Names & synonyms
8-methylbenzo[a]pyrene8-Methylbenzo(a)pyrene63041-76-9DTXSID00212363BENZO(a)PYRENE, 8-METHYL-Benzo[a]pyrene, 8-methyl-68W7EDK2MGRefChem:107266DTXCID00134854660-633-9CCRIS 2441BRN 3277492
Show more names
8-Methylbenz[a]pyrene@50 μg/mL in Toluene
8-Methylbenz[a]pyrene8-methylbenzo[pqr]tetrapheneSCHEMBL597786AKOS024340900DB-307512NS00121208
Database identifiers
- CAS
63041-76-9- PubChem CID
- 44367
- DTXSID
DTXSID00212363- UNII
- 68W7EDK2MG
- EC Number
- 660-633-9
- Nikkaji
- J518.591B
Properties
Computed structural properties
- XLogP
- 7
- 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
- 217.5 · 217.5-218 °C
- Boiling point
- 479.4 · 479.4±12.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H413-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H413-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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