Basic information
- CAS
610-48-0- Standard SMILES
Cc1cccc2cc3ccccc3cc12- InChIKey
KZNJSFHJUQDYHE-UHFFFAOYSA-N- Molecular formula
- C15H12
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.09390038
Names & identifiers
- Preferred name
- 1-Methylanthracene
- IUPAC
- 1-methylanthracene
- English name
- 1-METHYLANTHRACENE
- Molecular formula
- C15H12
- Molecular weight
- 192.26
Names & synonyms
1-METHYLANTHRACENE610-48-0Anthracene, 1-methyl-3T2PP79W0ODTXSID3074787NSC-408204RefChem:76364DTXCID2042933210-224-21-methyl-anthraceneCCRIS 2738EINECS 210-224-2
Show more names
anthracene,1-methyl-C20834900 1-Methylanthracene1-Methylanthracene in isooctane1-Methylanthracene@50 μg/mL in Toluene1-Methylanthracene 10 μg/mL in CyclohexaneL20834900CY 1-MethylanthracenE10μg/mLin CyclSodium polystyrene sulfonate Standard (Mw 622,000)
NSC 4082044-MethylanthraceneUNII-3T2PP79W0OSCHEMBL69340SCHEMBL130782SCHEMBL130783SCHEMBL821036SCHEMBL1310416
Database identifiers
- CAS
610-48-0- PubChem CID
- 11884
- DTXSID
DTXSID3074787- UNII
- 3T2PP79W0O
- EC Number
- 210-224-2
- Nikkaji
- J96.117E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Kovats Retention Index
1920.7；1966；1966；1966；323.3
1934.8；1959.3；1976.3；1934.8；1959.3；1976.3；322.6；315.9；316；323.33；343.34；303；323.38；322.2；323.3；323.33；327.7；323.33
Physicochemical properties
- Melting point
- 86 · 86-88 °C(lit.)
- Boiling point
- 363 °C · 363 °C(lit.)
- Density
- 1.0471 · 1.0471
- refractive index
- 1.6802 · 1.6802
- Henry's Law Constant
- 1.7 · 1.7×10-1 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- CAS DataBase Reference
- 610 · 610-48-0
- FDA UNII
- 3 T2PP79W0O · 3T2PP79W0O
- EPA Substance Registry System
- 1 · Anthracene, 1-methyl- (610-48-0)
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 3 of 3 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 3 of 3 reports by companies.；There are 0 notifications provided by 0 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesOrganic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
2 records
Compound notes
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