2,7-DI-Tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

HCID 3293914CAS 130525-39-2

기본 정보

표준 SMILES: CC(C)(C)c1cc(C(=O)O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(C(=O)O)c1O2
InChIKey: VJSNHUACDSJJCU-UHFFFAOYSA-N
분자식: C25H30O5
평균 분자량: 410.5 g/mol
단동위원소 질량: 410.20932406

이름 및 식별자

우선 이름: 2,7-DI-Tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid
IUPAC: 2,7-ditert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid
영어명: 2,7-Di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid
분자식: C25H30O5
분자량: 410.5

이름 및 동의어

130525-39-22,7-DI-TERT-BUTYL-9,9-DIMETHYL-4,5-XANTHENEDICARBOXYLIC ACID2,7-Di-tert-butyl-9,9-dimethyl-9H-xanthene-4,5-dicarboxylic acid2,7-ditert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acidSCHEMBL504056SCHEMBL29415451DTXSID60391148AKOS0158939739H-Xanthene-4,5-dicarboxylic acid, 2,7-bis(1,1-dimethylethyl)-9,9-dimethyl-DB-008144ST509977042,7-di-t-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic acid

이름 더 보기

2,7-di-tert-butyl-9,9-dimethyl-4,5-xanthenedicarboxylic ac2,7-di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic ac.2,7-DI-TERT-BUTYL-9,9-DIMETHYLXANTHENE-4,5-DICARBOXYLIC ACID2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid 98%2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid

2,7-bis(tert-butyl)-9,9-dimethylxanthene-4,5-dicarboxylic acid2,7-Di-tert-Butyl-9,9-dimethyloxaanthane-4,5-dicarboxylic acid2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid, 98%InChI=1/C25H30O5/c1-23(2,3)13-9-15(21(26)27)19-17(11-13)25(7,8)18-12-14(24(4,5)6)10-16(22(28)29)20(18)30-19/h9-12H,1-8H3,(H,26,27)(H,28,29

데이터베이스 식별자

CAS: 130525-39-2
PubChem CID: 3293914
DTXSID: DTXSID60391148
Nikkaji: J935.812I

물성

구조 계산 물성

XLogP: 6.7
극성 표면적: 83.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 30
형식 전하: 0
복잡도: 627

물리화학적 성질

녹는점: 307 · 307-309 °C
끓는 점: 513.4 · 513.4±50.0 °C(Predicted)
밀도: 1.159 · 1.159±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.19 · 3.19±0.40(Predicted)
BRN: 4210983 · 4210983
InChI: 1S/C25H30O5/c1-23(2,3)13-9-15(21(26)27)19-17(11-13)25(7,8)18-12-14(24(4,5)6)10-16(22(28)29)20(18)30-19/h9-12H,1-8H3,(H,26,27)(H,28,29)
InChIKey: VJSNHUACDSJJCU-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc(C(O)=O)c2Oc3c(cc(cc3C(C)(C)c2c1)C(C)(C)C)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

용도2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid may be used in the synthesis of 2,7-di-tert-butyl-9,9-dimethyl-4,5-bis(4-tritylanilinocarbon-yl)-9H-xanthene methanol trisolvate monohydrate.

일반 설명2,7-Di-tert-butyl-9,9-dimethylxanthene-4,5-dicarboxylic acid is a carboxylic acid building block.

공급사13 곳

Aladdin Scientific[email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

吉林中科研伸科技有限公司18143011203 · [email protected]

河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]

吉林中科研伸科技有限公司0431-80514535 19917294565 · [email protected]

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