Basic information
- CAS
4176-45-8- Standard SMILES
COc1ccc2ccc3ccc4ccccc4c3c2c1- InChIKey
QLGPQVIOCQBYIQ-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- 2-Methoxybenzo[c]phenanthrene
- IUPAC
- 2-methoxybenzo[c]phenanthrene
- English name
- 2-Methoxybenzo(c)phenanthrene
- Molecular formula
- C19H14O
- Molecular weight
- 258.31
Names & synonyms
2-methoxybenzo[c]phenanthrene4176-45-8DTXSID302947182-METHOXYBENZO(C)PHENANTHRENERefChem:262745DTXCID40245857665-828-2NSC97701NCIOpen2_006649NSC-97701AKOS024335808Benzo[c]phenanthrene, 2-methoxy-
Database identifiers
- CAS
4176-45-8- PubChem CID
- 263303
- DTXSID
DTXSID30294718- EC Number
- 665-828-2
- Nikkaji
- J2.750.211C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 78 · 78-80 °C
- Boiling point
- 469.3 · 469.3±14.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H410
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P391, 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,GHS09
- Hazard statements
- H318-H335-H315-H410
- Precautionary statements
- P280-P305+P351+P338-P310-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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