기본 정보
- CAS
3016-76-0- 표준 SMILES
O=C(O)c1ccc(C(c2ccc(C(=O)O)c(C(=O)O)c2)(C(F)(F)F)C(F)(F)F)cc1C(=O)O- InChIKey
APXJLYIVOFARRM-UHFFFAOYSA-N- 분자식
- C19H10F6O8
- 평균 분자량
- 480.3 g/mol
- 단동위원소 질량
- 480.02798625
이름 및 식별자
- 우선 이름
- 1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-
- IUPAC
- 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid
- 현지명
- 4,4'-(헥사플루오로이소프로필리덴)디프탈산
- 영어명
- 4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID
- 분자식
- C19H10F6O8
- 분자량
- 480.27
이름 및 동의어
4,4'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bisphthalic acidEINECS 221-154-7DTXSID80627891,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-1,2-Benzenedicarboxylic acid, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis-4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acidRefChem:411158DTXCID8038148221-154-73016-76-04,4'-(Perfluoropropane-2,2-diyl)diphthalic acid4,4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHALIC ACID
이름 더 보기
4,4'-(헥사플루오로이소프로필리덴)디프탈산6FTAne]bis-4,4'-(HexafLidene)diphthaL4,4'-(Perfluororopane-2,2'-diyl)4 4'-(HEXAFLUOROISOPROPYLIDENE)DIPHTHAL4,4-(Hexafluoroispropylidene)Diphthalic Acid4,4'-(Hexafluoroisopropylidene)bisphthalic acid
4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acidMFCD013214141,2-Benzenedicarboxylic acid,4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-C19H10F6O84-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene-1,2-dicarboxylic acidSCHEMBL109108orb3217317SCHEMBL1770132
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 741
실험 및 물리화학적 성질
Physical DescriptionDry Powder
물리화학적 성질
- 녹는점
- 240 · 240-241°C
- 끓는 점
- 572.3 · 572.3±50.0 °C(Predicted)
- 밀도
- 1.681 · 1.681±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 2.51 · 2.51±0.10(Predicted)
- InChI
- InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)
- InChIKey
- APXJLYIVOFARRM-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(O)=O)C(C(O)=O)=C1)(C1=CC=C(C(O)=O)C(C(O)=O)=C1)(C(F)(F)F)C(F)(F)F
- EPA
- 1 · 1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- (3016-76-0)
화학적 성질
white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (14 of 14) of all reports.
Not Classified
Aggregated GHS information provided per 14 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36
화학 및 산업
용도 및 제조
U.S. Production2022: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,2-Benzenedicarboxylic acid, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-: ACTIVE
상·하류 제품 정보
하류 제품
공급사90 곳
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海大然化学有限公司021-64478606 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
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