HCID6773

2-Methylanthraquinone

2-methylanthracene-9,10-dione

C15H10O2222.24 g/molCAS 84-54-8

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IDENTITY

结构与身份

标准SMILES: Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey: NJWGQARXZDRHCD-UHFFFAOYSA-N
分子式: C15H10O2
平均分子量: 222.24 g/mol
单同位素质量: 222.06807956

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 34.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 17
形式电荷: 0
复杂度: 347

PROPERTIES

实验与物化性质

Kovats Retention Index

2035；2055；2092.1

350.1；352.7

Collision Cross Section

145.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041439]

GHS

GHS分类

GHS Classification

Warning

H317 (28.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H400 (71.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (71.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

HAZARDS

危害信息

Regulatory Information

Chemical: 9,10-Anthracenedione, 2-methyl-

Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17757

9,10-Anthracenedione, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Sens. 1 (28.6%)；Aquatic Acute 1 (71.4%)；Aquatic Chronic 1 (71.4%)

REGULATORY

法规信息

Regulatory Information

Chemical: 9,10-Anthracenedione, 2-methyl-

Status: Active Update: 01-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17757

9,10-Anthracenedione, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

General Manufacturing Information

9,10-Anthracenedione, 2-methyl-: ACTIVE

ALIASES

名称与别名

共 69 条

2-Methylanthraquinone84-54-8Tectoquinone2-methylanthracene-9,10-dionebeta-Methylanthraquinone2-Methyl-9,10-anthraquinone9,10-Anthracenedione, 2-methyl-2-methyl-9,10-anthracenedioneDTXSID5041439Q9P233HWAJNSC-607CHEBI:9427DTXCID3021439RefChem:88253201-539-62-Methyl anthraquinoneTechtoquinoneTectochinonAnthraquinone, 2-methyl-2-Methylanthra-9,10-quinone

REACTIONS