Basic information
- CAS
3351-28-8- Standard SMILES
Cc1cccc2c1ccc1c3ccccc3ccc21- InChIKey
LQKGSLMFGWWLIU-UHFFFAOYSA-N- Molecular formula
- C19H14
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.10955045
Overview
1-Methylchrysene is a carbopolycyclic compound.
Names & identifiers
- Preferred name
- 1-Methylchrysene
- IUPAC
- 1-methylchrysene
- English name
- 1-Methylchrysene
- Molecular formula
- C19H14
- Molecular weight
- 242.31
Names & synonyms
1-METHYLCHRYSENEChrysene, 1-methyl-CCRIS 6755Methylchrysene, 1-EINECS 222-112-0BRN 25574187086BI4YM2UNII-7086BI4YM21-METHYLCHRYSENE [IARC]DTXSID10747594-05-00-02572 (Beilstein Handbook Reference)1-METHYLCHRYSENE (IARC)
Show more names
METHYLCHRYSENE1-methyl-chrysen1-Methyl chlorideCHRYSENE,1-METHYL-1-Methylchrysene in toluene48087, 1-Methylchrysene (purity)
RefChem:76371DTXCID8038697222-112-0LQKGSLMFGWWLIU-UHFFFAOYSA-N3351-28-81-Methyl Chrysene1-METHYLCHRYSENE (purity)Chrysene, 1-methyl-; 1-Methylchrysene
Database identifiers
- CAS
3351-28-8- PubChem CID
- 18779
- DTXSID
DTXSID1074759- ChEBI
CHEBI:82484- UNII
- 7086BI4YM2
- EC Number
- 222-112-0
- Nikkaji
- J33.978D
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
- 19
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 256.5 °C · 256.5°C
- Boiling point
- 465.14 °C · 465.14°C (rough estimate)
- Density
- 1.1011 · 1.1011 (estimate)
- refractive index
- 1.748 · 1.7480 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- BRN
- 2557418 · 2557418
- FDA UNII
- 7086 BI4YM2 · 7086BI4YM2
- IARC
- 3 · 3 (Vol. Sup 7, 92) 2010
- EPA Substance Registry System
- 1 · Methylchrysene, 1- (3351-28-8)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 371 · H371
- Precautionary statements
- 260 · P260-P264-P270-P309+P311-P405-P501
- WGK Germany
- 3 · 3
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
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P264, P270, P308+P316, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 2 (100%)
Toxicology
Carcinogen Classification
1-Methylchrysene
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
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H371
- Precautionary statements
- P260-P264-P270-P309+P311-P405-P501
Chemistry & industry
Applications
Uses1-Methylchrysene is one of the methylated chrysenes (MeChry), as an aryl hydrocarbon receptor (AhR) agonist. Methylated chrysenes (MeChry) are important cigarette smoke constituents and 5-MeChry has been listed as possibly carcinogenic to humans. 1-Methylchrysene is a possible carcinogenic agent.
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: 1-Methylchrysene is a carbopolycyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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