기본 정보
- CAS
30431-54-0- 표준 SMILES
CCCCCOC(=O)c1c(Cl)c(Cl)cc(Cl)c1OC(=O)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)OCCCCC- InChIKey
TZZLVFUOAYMTHA-UHFFFAOYSA-N- 분자식
- C26H24Cl6O8
- 평균 분자량
- 677.2 g/mol
- 단동위원소 질량
- 673.960234
이름 및 식별자
- 우선 이름
- Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate
- IUPAC
- bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalate
- 현지명
- 옥살산비스[2,4,5-트리클로로-6-(펜틸록시카르보닐)페닐]에스테르
- 영어명
- Oxalic acid bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] ester
- 분자식
- C26H24Cl6O8
- 분자량
- 677.18
이름 및 동의어
30431-54-0Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalateCPPOBis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate44594F9XR2DTXSID0067559bis(6-carbopentoxy-2,4,5-trichlorophenyl)oxalateRefChem:120026DTXCID3038199250-195-3Bis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl] oxalateOxalic Acid Bis[2,4,5-trichloro-6-(pentyloxycarbonyl)phenyl] Ester
이름 더 보기
옥살산비스[2,4,5-트리클로로-6-(펜틸록시카르보닐)페닐]에스테르bisoxalateBis oxalate esterBIS(2-CARBOPENTYLOXY-3,4,6-TRICHLOROPHENYL) OXALATEDIPENTYL O,O'-OXALYL-BIS(3,5,6-TRICHLOROSALICYLATE)Bis(2,4,5-trichlorosalicylicacidn-pentylester)oxalateBIS(2,4,5-TRICHLOROPHENYL-6-CARBOPENTOXYPHENYL) OXALATEBis(2,4,5-trichloro-6-carbopentoxyphenyl)oxalate (CPPO)BIS[2,4,5-TRICHLORO-6-(PENTYLOXYCARBONYLPHENYL)] OXALATE
bis(3,4,6-trichloro-2-pentoxycarbonylphenyl) oxalateMFCD00191674pentyl 2,3,5-trichloro-6-[(2-oxo-2-{3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenoxy}acetyl)oxy]benzoateEthanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] esterEthanedioic acid, bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) esterEthanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] esterEthanedioic acid, 1,2-bis(3,4,6-trichloro-2-((pentyloxy)carbonyl)phenyl) esterBis[3,4,6-trichloro-2-(pentyloxycarbonyl)phenyl]oxalate
물성
구조 계산 물성
- XLogP
- 10.6
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 795
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 83 °C · 83 °C
- 끓는 점
- 692.1 · 692.1±55.0 °C(Predicted)
- 밀도
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3
- InChIKey
- TZZLVFUOAYMTHA-UHFFFAOYSA-N
- SMILES
- C(OC1=C(Cl)C=C(Cl)C(Cl)=C1C(OCCCCC)=O)(=O)C(OC1=C(Cl)C=C(Cl)C(Cl)=C1C(OCCCCC)=O)=O
- EPA
- 3 · Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester (30431-54-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (40%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester
Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester 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)
REACH registered substance: Bis(2,4,5-trichloro-6-carbopentoxyphenyl) oxalate (EC: 250-195-3)
Hazard Classes and CategoriesAcute Tox. 4 (60%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2934.20.8000
- risk_code
- 23/24/25
- safety_code
- 36/37/39
- 기존화학 물질
- KE-13155
- F 고인화성물질
- 8-21
화학 및 산업
용도 및 제조
U.S. Production2023: 60,051 lb
Industry UsesOther
General Manufacturing Information
Miscellaneous Manufacturing
Ethanedioic acid, 1,2-bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester: ACTIVE
공급사100 곳
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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…