Basic information
- CAS
4076-43-1- Standard SMILES
Cc1cccc2ccc3ccc4cccc(C)c4c3c12- InChIKey
IXANOVMXMUKUEE-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 1,12-Dimethyl[4]helicene
- IUPAC
- 1,12-dimethylbenzo[c]phenanthrene
- English name
- 1,12-DIMETHYLBENZO[C]PHENANTHRENE
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
Benzo[c]phenanthrene, 1,12-dimethyl-4076-43-11,12-Dimethyl[4]helicene1,12-Dimethyl(4)heliceneBenzo(c)phenanthrene, 1,2-dimethyl-NSC 409535Benzo(c)phenanthrene, 1,12-dimethyl-DTXSID70193751RefChem:214140DTXCID10116242Benzo(c)phenanthrene, 1,12-dimethyl-(8CI)Benzo(c)phenanthrene, 1,12-dimethyl-(8CI)(9CI)
Show more names
AR-G52 1,12-DIMETHYLBENZO(C)PHENANTHRENE1,12-Dimethylbenzo[c]phenanthrene@50 μg/mL in Toluene
IXANOVMXMUKUEE-UHFFFAOYSA-N1,12-Dimethylbenzo[c]phenanthreneNSC-409535NSC409535ABF7Q8LXL8Benzo(c)phenanthrene, 1,12-dimethyl- (8CI)(9CI)Benzo[c]phenanthrene,2-dimethyl-Benzo[c]phenanthrene,12-dimethyl-
Database identifiers
- CAS
4076-43-1- PubChem CID
- 77696
- DTXSID
DTXSID70193751- UNII
- ABF7Q8LXL8
- EC Number
- 637-019-4
- Nikkaji
- J103.324G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 334.58 °C · 334.58°C (rough estimate)
- Density
- 1.084 · 1.0840 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
- FDA UNII
- 7 Q8LXL8 · ABF7Q8LXL8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- H319-H302-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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