Basic information
- CAS
1706-01-0- Standard SMILES
Cc1ccc2c3c(cccc13)-c1ccccc1-2- InChIKey
XHJKUHDKEFRGSK-UHFFFAOYSA-N- Molecular formula
- C17H12
- Average molar mass
- 216.28 g/mol
- Monoisotopic mass
- 216.09390038
Overview
3-Methylfluoranthene is a member of naphthalenes.
Names & identifiers
- Preferred name
- 3-Methylfluoranthene
- IUPAC
- 3-methylfluoranthene
- English name
- 3-Methylfluoranthene
- Molecular formula
- C17H12
- Molecular weight
- 216.28
Names & synonyms
3-METHYLFLUORANTHENE1706-01-0N8V9IJE74PDTXSID0074760RefChem:504218DTXCID0035451Methylfluoranthene, 3-Fluoranthene, 3-methyl-;Fluoranthene, 3-methyl-CCRIS 69333-methyl-fluorantheneBRN 1868439
Show more names
3-methyl-fluoranthen
Fluoranthene, 3-methylUNII-N8V9IJE74PSCHEMBL22635004CHEBI:82491MSK4365XHJKUHDKEFRGSK-UHFFFAOYSA-N3-METHYLFLUORANTHENE [IARC]NS00126607
Database identifiers
- CAS
1706-01-0- PubChem CID
- 15565
- DTXSID
DTXSID0074760- ChEBI
CHEBI:82491- UNII
- N8V9IJE74P
- Nikkaji
- J34.729I
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 65 · 65-66 °C
- Boiling point
- 396.7 °C · 396.7°C (rough estimate)
- Density
- 1.102 · 1.1020 (estimate)
- refractive index
- 1.816 · 1.8160 (estimate)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- Pale Yellow to Light Green
- FDA UNII
- 8 V9IJE74P · N8V9IJE74P
- IARC
- 3 · 3 (Vol. Sup 7, 92) 2010
- EPA Substance Registry System
- 3 · Methylfluoranthene, 3- (1706-01-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Carcinogen Classification
3-Methylfluoranthene
Group 3: Not classifiable as to its carcinogenicity to humans
Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
2010
2005
Chemistry & industry
Applications
Uses3-Methylfluoranthene is an environmental pollutant that is an active tumor initiator.
Suppliers6 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: 3-Methylfluoranthene is a member of naphthalenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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