CAS 79410-20-1 1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylate (HCID 4739619)

기본 정보

CAS: 79410-20-1
표준 SMILES: CC1(C(=O)[O-])CC(C)(C(=O)[O-])CC(C)(C(=O)[O-])C1
InChIKey: AZWHPGZNOIYGFB-UHFFFAOYSA-K
분자식: C12H15O6-3
평균 분자량: 255.24 g/mol
단동위원소 질량: 255.08686319

이름 및 식별자

우선 이름: 1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylate
IUPAC: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylate
현지명: 켐프의삼산
영어명: KEMP'S TRIACID
분자식: C12H18O6
분자량: 258.27

이름 및 동의어

1,3,5-trimethylcyclohexane-1,3,5-tricarboxylateDTXSID001000457켐프의삼산KEMP'S TRIACID1,3,5-Trimethylcyclohexane-1β,3β,5β-tricarboxylic acidAluminum oxide, fused, #200+325 mesh, 99+% metals basiscis,cis-1,3,5-trime.cyclohexane-1,3,5-tricarboxylic acidCIS,CIS-1,3,5-TRIMETHYLCYCLOHEXANE-1,3,5-TRICARBOXYLIC ACIDcis,cis-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic acidcis,cis-1,3,5-Trimethylcyclohexane-1,3,5-tricarboxylic acid 99%1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylicacid(Kemp'striacid)rel-(1s,3s,5s)-1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid

이름 더 보기

1,3,5-Cyclohexanetricarboxylic acid, 1,3,5-trimethyl-, (1α,3α,5α)-

데이터베이스 식별자

CAS: 79410-20-1
PubChem CID: 4739619
DTXSID: DTXSID001000457
Nikkaji: J2.026.365B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 120 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: -3
복잡도: 320

물리화학적 성질

녹는점: 241 · 241-243 °C(lit.)
끓는 점: 364 · 364.0±42.0 °C(Predicted)
밀도: 1.301 · 1.301±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.02 · 4.02±0.50(Predicted)
BRN: 3557263 · 3557263
InChI: 1S/C12H18O6/c1-10(7(13)14)4-11(2,8(15)16)6-12(3,5-10)9(17)18/h4-6H2,1-3H3,(H,13,14)(H,15,16)(H,17,18)/t10-,11+,12-
InChIKey: AZWHPGZNOIYGFB-ZSBIGDGJSA-N
SMILES: C[C@@]1(C[C@](C)(C[C@](C)(C1)C(O)=O)C(O)=O)C(O)=O

안전 및 규제

안전 데이터

wgk: 3
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Versatile molecule for molecular recognition studies. Also used to prepare a chiral auxiliary for asymmetric radical addition, allylation, and annulation reactions.

공급사6 곳

Aladdin Scientific[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]

四川库利南科技有限公司400-1166-196 18981987031 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Alfa Chemistry1-516-6625404 · [email protected]

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