2-Methylanthraquinone

HCID 6773CAS 84-54-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIKey
NJWGQARXZDRHCD-UHFFFAOYSA-N
분자식
C15H10O2
평균 분자량
222.24 g/mol
단동위원소 질량
222.06807956

이름 및 식별자

우선 이름
2-Methylanthraquinone
IUPAC
2-methylanthracene-9,10-dione
영어명
2-Methyl anthraquinone
분자식
C15H10O2
분자량
222.24

이름 및 동의어

2-Methylanthraquinone84-54-8Tectoquinone2-methylanthracene-9,10-dionebeta-Methylanthraquinone2-Methyl-9,10-anthraquinone9,10-Anthracenedione, 2-methyl-2-methyl-9,10-anthracenedioneDTXSID5041439Q9P233HWAJNSC-607CHEBI:9427
이름 더 보기
2-METHYL AQCH3C6H3COC6H4CO
DTXCID3021439RefChem:88253201-539-62-Methyl anthraquinoneTechtoquinoneTectochinonAnthraquinone, 2-methyl-2-Methylanthra-9,10-quinone

데이터베이스 식별자

CAS
84-54-8
PubChem CID
6773
DTXSID
DTXSID5041439
ChEMBL
CHEMBL21745
ChEBI
CHEBI:9427
UNII
Q9P233HWAJ
EC Number
201-539-6
Nikkaji
J4.896H

물성

구조 계산 물성

XLogP
3.9
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
17

실험 및 물리화학적 성질

Kovats Retention Index · 2건

2035；2055；2092.1

350.1；352.7

Collision Cross Section145.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041439]

물리화학적 성질

녹는점
170 · 170-173 °C (lit.)
끓는 점
236 · 236-238 °C/10 mmHg (lit.)
밀도
1.1404 · 1.1404 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.66 · 1.6600 (estimate)
인화점
209 °C · 209 °C

화학적 성질

YELLOW TO GREEN-YELLOW FINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 3건

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

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG 3
HS 번호
29146990
risk_code
51/53
hazard_code
Xi,N

화학 및 산업

용도 및 제조

General Manufacturing Information9,10-Anthracenedione, 2-methyl-: ACTIVE

응용 분야

용도2-Methylanthraquinone is used as a pharmaceutical intermediate. It is used in smog dyes.2-Methylanthraquinone may be used in the preparation of potential bioreducible anthraquinone derivatives.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

추가 설명

정의ChEBI: 2-methylanthraquinone is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. It derives from a 9,10-anthraquinone.

관련 반응

7건
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