1,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene)
기본 정보
- CAS
97416-84-7- 표준 SMILES
CC(Br)(CBr)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC(C)(Br)CBr)c(Br)c2)cc1Br- InChIKey
IYOVSGHZOIZSDC-UHFFFAOYSA-N- 분자식
- C23H24Br8O2
- 평균 분자량
- 971.7 g/mol
- 단동위원소 질량
- 963.52432681
이름 및 식별자
- 우선 이름
- 1,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene)
- IUPAC
- 1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene
- 영어명
- 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]
- 분자식
- C23H24Br8O2
- 분자량
- 971.67
이름 및 동의어
97416-84-71,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene)EINECS 306-832-3EC 306-832-31,1'-(ISOPROPYLIDENE)BIS[3,5-DIBROMO-4-(2,3-DIBROMO-2-METHYLPROPOXY)BENZENE]DTXSID80893715306-832-3RefChem:409124DTXCID4013237381,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene1,1'-(1-Methylethylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]SCHEMBL2043886
이름 더 보기
Tetrabromobisphenol A bis(dibromomethylpropyl ether)Methyl octabromoetherTetrabromobisphenol A bis(2,3-dibromo-2-Methylpropyl ether)2,2-Bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propaneDXFR? 640Methyl OctabromideOctabromomethyl etherMethyl Octabromide EtherHBCD Replacement （YK-972）Bis(pentabromobenzyl)ethane
IYOVSGHZOIZSDC-UHFFFAOYSA-NNS00002416Bis(2,3-dibromo-2-methylpropyl ether)-Tetrabromobisphenol A1,1'-(Propane-2,2-diyl)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]
데이터베이스 식별자
- CAS
97416-84-7- PubChem CID
- 22345068
- DTXSID
DTXSID80893715- EC Number
- 306-832-3
- Nikkaji
- J382.851D
물성
구조 계산 물성
- XLogP
- 11
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 551
실험 및 물리화학적 성질
Polymers
Plastics -> PUR; PVC (soft)
Plastics -> Flame retardants
Flame RetardantsFlame retardants
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 685.3 · 685.3±55.0 °C(Predicted)
- 밀도
- 2.079 · 2.079±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 수용성
- 20 μg/L · 20μg/L at 20℃
- InChI
- InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3
- InChIKey
- IYOVSGHZOIZSDC-UHFFFAOYSA-N
- SMILES
- C(C1=CC(Br)=C(OCC(Br)(C)CBr)C(Br)=C1)(C1=CC(Br)=C(OCC(Br)(C)CBr)C(Br)=C1)(C)C
- LogP
- 12.42 · 12.42
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% (17 of 17) of all reports.
Not Classified
Aggregated GHS information provided per 17 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15903
Hazard Classes and CategoriesNot Classified
안전 데이터
- 기존화학 물질
- 2015-3-6332
화학 및 산업
용도 및 제조
UsesPlastics -> Typical concentration range in plastic materials -> 15%
Use Classification
Plastics -> Flame retardants
Plastics -> Polymer Type -> PUR; PVC (soft)
관련 반응
0건
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