트리메틸퀴논

2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-

HCID 70291CAS 935-92-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CC(=O)C(C)=C(C)C1=O
InChIKey: QIXDHVDGPXBRRD-UHFFFAOYSA-N
분자식: C9H10O2
평균 분자량: 150.17 g/mol
단동위원소 질량: 150.06807956

이름 및 식별자

우선 이름: 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
IUPAC: 2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione
현지명: 트리메틸퀴논
영어명: TRIMETHYLQUINONE
분자식: C9H10O2
분자량: 150.17

이름 및 동의어

935-92-2Trimethylquinone2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-2,3,5-trimethylbenzo-1,4-quinonePseudocumoquinone2,3,5-Trimethyl-1,4-benzoquinonep-PseudocumoquinoneTrimethyl-p-quinoneTrimethylbenzoquinoneTrimethyl-p-benzoquinone2,3,5-Trimethyl-p-benzoquinone2,3,5-Trimethylbenzoquinone

이름 더 보기

트리메틸퀴논Cumoquinonepsi-Cumoquinonetrimethyl-benzoquinon

Trimethylchinon2,3,6-Trimethyl-p-benzoquinoneTrimethyl-1,4-benzoquinone2,3,6-TrimethylbenzoquinoneTrimethylchinon [German]2,3,5-Trimethylquinonep-Benzoquinone, 2,3,5-trimethyl-Benzoquinone, trimethyl-

데이터베이스 식별자

CAS: 935-92-2
PubChem CID: 70291
DTXSID: DTXSID5061320
ChEMBL: CHEMBL423039
UNII: O26GU14U9E
EC Number: 213-309-2
Nikkaji: J82.417H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 293

실험 및 물리화학적 성질

LogP1.47

물리화학적 성질

녹는점: 36 °C · 36 °C
끓는 점: 211.72 °C · 211.72°C (rough estimate)
밀도: 0.982 · 0.9820 (rough estimate)
굴절률: 1.547 · 1.5470 (estimate)
저장 조건: 2 · 2-8°C
용해도: 아세톤에 용해됨
물리적 상태: powder to crystal
색상: Light yellow to Yellow to Orange
InChI: InChI=1S/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
InChIKey: QIXDHVDGPXBRRD-UHFFFAOYSA-N
SMILES: C1(=O)C=C(C)C(=O)C(C)=C1C
EPA: 2 · 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl- (935-92-2)

화학적 성질

Yellow crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (99.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (99.1%)

안전 데이터

tsca: TSCA listed
HS 번호: 2914.69.9000

화학 및 산업

용도 및 제조

General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-: ACTIVE

응용 분야

용도Through a catalytic redox chain ring opening Trimethylquinone can be used to Synthesize Quinone-Containing Carboxylic Acids

상·하류 제품 정보

상류 원료

하류 제품

부탄산,2-하이드록시-3-옥소-(9CI)

공급사50 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

연결된 노트

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