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2,2-비스(3,5-디브로모-4-(2,3-디브로모프로폭시)페닐)프로판

Tetrabromobisphenol A bis(2,3-dibromopropyl ether)

HCID 62753
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
21850-44-2
표준 SMILES
CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
InChIKey
LXIZRZRTWSDLKK-UHFFFAOYSA-N
분자식
C21H20Br8O2
평균 분자량
943.6 g/mol
단동위원소 질량
935.49303

이름 및 식별자

우선 이름
Tetrabromobisphenol A bis(2,3-dibromopropyl ether)
IUPAC
1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
현지명
2,2-비스(3,5-디브로모-4-(2,3-디브로모프로폭시)페닐)프로판
영어명
Tetrabromobisphenol A bis(dibromopropyl ether)
분자식
C21H20Br8O2
분자량
943.61

이름 및 동의어

21850-44-22,2-Bis[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propaneBis(2,3-dibromopropoxy)tetrabromobisphenol ATetrabromobisphenol A bis(2,3-dibromopropyl) etherTBBPA-DBPETetrabromobisphenol A bis(2,3-dibromopropyl ether)YH2252CV631,1'-(Isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene]PROPANE, 2,2-BIS(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL)-EINECS 244-617-5Benzene, 1,1'-(1-methylethylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy)-2,2-BIS(4-(2,3-DIBROMOPROPYLOXY)-3,5-DIBROMOPHENYL)PROPANE
이름 더 보기
2,2-비스(3,5-디브로모-4-(2,3-디브로모프로폭시)페닐)프로판2,2-비스(3,5-디브로모-4-(2,3-디브로모프로폭시)페닐)프로판(2,2-BIS(3,5-DIBROMO-4...BDDPOcta etherJADEWIN BDDPOctabromoethertetrabromo-bisphenol-a-bis(2,3-dibromopropaneether)FG-3100BTBPE-MeDXFR? 900bromkal 66-8
3,3',5,5'-TETRABROMOBISPHENOL A BIS(2,3-DIBROMOPROPYL) ETHERtetrabromobisphenol a 2,3-dibromopropyl ether1,1'-(1-Methylethylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy))benzeneEC 244-617-52,2-bis[4-(2,3-dibromopropoxy)-3,5-dibromophenyl]propane1,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromopropoxy)benzene)2,2-BIS(3,5-DIBROMO-4-(2,3-DIBROMOPROPOXY)PHENYL)PROPANE2,2-BIS(4-(2,3-DIBROMOPROPOXY)-3,5-DIBROMOPHENYL)PROPANE

물성

구조 계산 물성

XLogP
10.6
극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
10
무거운 원자 수
31
형식 전하
0
복잡도
472

실험 및 물리화학적 성질

Polymers · 2건

Plastics -> Flame retardants

Plastics -> N.a.

Flame RetardantsFlame retardants
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionDry Powder; CBI

물리화학적 성질

녹는점
117 °C · 117°C
끓는 점
676.5 · 676.5±55.0 °C(Predicted)
밀도
2.169 · 2.169±0.06 g/cm3(Predicted)
증기압
0.029 Pa · 0.029Pa at 20℃
저장 조건
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
색상
하얀색
수용성
144 ng/L · 144ng/L at 20℃
Henry's Law Constant
2.4 · 2.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI
InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (51 of 51) of all reports.

Not Classified

Aggregated GHS information provided per 51 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 6건

Chemical: Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-

Hazard Traits - Endocrine Toxicity

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)- 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)

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

REACH registered substance: 1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)benzene] (EC: 244-617-5)

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationPEC / SN / Other assessments - Polybrominated flame retardants (PBFRs): Health and Environment
Hazard Classes and CategoriesNot Classified

안전 데이터

tsca
TSCA listed
ridadr
3152
HS 번호
29093090
risk_code
36/37/38
safety_code
26-36/37/39
포장분류
II

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesFlame retardant
Industry UsesFlame retardant
Use Classification · 2건

Plastics -> Flame retardants

Plastics -> Polymer Type -> N.a.

General Manufacturing Information · 2건

Custom Compounding of Purchased Resins

Benzene, 1,1'-(1-methylethylidene)bis[3,5-dibromo-4-(2,3-dibromopropoxy)-: ACTIVE

응용 분야 · 2건

개요Tetrabromobisphenol A bis(2,3-dibromopropyl) ether is part of the group of Brominated and Chlorinated Flame Retardants. FR-50 is a flame retardant containing both aromatic and aliphatic bromine. It's is designed for use in polyolefin and styrenic resins, providing a UL94 V-2 rating. It can also be applied to polypropylene, to reach a V-0 rating.

용도tetrabromobisphenol A bis(dibromopropyl ether),OBE, is an additive brominated flame retardants, can be widely used in polyolefin (pp), high impact polystyrene (HIPS) and ABS and other products.

상·하류 제품 정보

상류 원료

에틸알코올테트라브로모비스페놀 A브롬

공급사100 곳

梯希爱(上海)化成工业发展有限公司

관련 반응

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화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
21850-44-2
PubChem CID
62753
DTXSID
DTXSID3032129
ChEMBL
CHEMBL1314089
UNII
YH2252CV63
EC Number
244-617-5
Nikkaji
J39.712A
InChIKey
LXIZRZRTWSDLKK-UHFFFAOYSA-N
SMILES
C(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)(C)C
LogP
7.2 · 7.2
EPA
Tetrabromobisphenol A bis(2,3-dibromopropyl) ether (21850-44-2)

화학적 성질

White powder

위험 등급
9
기존화학 물질
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