2,2',3,4,4'-Pentabromodiphenyl ether

HCID 177368CAS 182346-21-0

기본 정보

표준 SMILES: Brc1ccc(Oc2ccc(Br)c(Br)c2Br)c(Br)c1
InChIKey: DMLQSUZPTTUUDP-UHFFFAOYSA-N
분자식: C12H5Br5O
평균 분자량: 564.7 g/mol
단동위원소 질량: 559.62572528

개요

2,4-dibromophenyl 2,3,4-tribromophenyl ether is a polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 3, 4, 2', and 4' positions have been replaced by bromines.

이름 및 식별자

우선 이름: 2,2',3,4,4'-Pentabromodiphenyl ether
IUPAC: 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene
영어명: 2,2',3,4',4-PENTABDE
분자식: C12H5Br5O
분자량: 564.69

이름 및 동의어

182346-21-02,2',3,4,4'-Pentabromodiphenyl etherBDE 85PBDE 85Benzene, 1,2,3-tribromo-4-(2,4-dibromophenoxy)-FGO8T80EZ5DTXSID40526851-(2,4-bis(bromanyl)phenoxy)-2,3,4-tris(bromanyl)benzene1-[2,4-bis(bromanyl)phenoxy]-2,3,4-tris(bromanyl)benzeneRefChem:80597DTXCID80312831,2,3-tribromo-4-(2,4-dibromophenoxy)benzene

이름 더 보기

5-PBDEBDE NO 85bde no 85solutionPBDE 85 50 μg/mL in Nonane22344PENTABROMINATEDDIPHENYLETHER2,2',3,4,4'-PENTABROMODIPHENYL ETER

2,2',3,4',4-PentaBDEUNII-FGO8T80EZ5PBDE-85BDE-85PBDE Congener No. 85BDE85PBDE No. 85SCHEMBL14938632

데이터베이스 식별자

CAS: 182346-21-0
PubChem CID: 177368
DTXSID: DTXSID4052685
ChEBI: CHEBI:138064
UNII: FGO8T80EZ5
EC Number: 621-547-7
Nikkaji: J776.186D

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 277

실험 및 물리화학적 성질

PolymersPolybrominated diphenyl ether

LogP7.37

Collision Cross Section · 3건

176.1 Å² [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

170.18 Å² [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

176.4 Å² [M-Br+O]-

물리화학적 성질

녹는점: 123 · 123-124 °C(Solv: ethyl ether (60-29-7))
끓는 점: 439.3 · 439.3±45.0 °C(Predicted)
밀도: 2.343 · 2.343±0.06 g/cm3(Predicted)
인화점: -12 °C · -12 °C
저장 조건: 2 · 2-8°C
Henry's Law Constant: 9.1 · 9.1×100 mol/(m3Pa) at 25℃, Tittlemier et al. (2002)
주요 응용: 환경
InChI: InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H
InChIKey: DMLQSUZPTTUUDP-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(OC2=CC=C(Br)C=C2Br)C(Br)=C1Br
EPA: 1 · Benzene, 1,2,3-tribromo-4-(2,4-dibromophenoxy)- (182346-21-0)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]

P203, P260, P263, P264, P270, P273, P318, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationSubstance: 1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene

Hazard Classes and CategoriesLact. (100%)

안전 데이터

wgk: 2
ridadr: UN 1262 3/PG 2
risk_code: 11-38-50/53-65-67
hazard_code: F,Xn,N
safety_code: 60-61-62-33-29-16-9
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Asp. Tox. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

공급사15 곳

江苏智芯廷科技有限公司18221391031 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

上海艾梯西生物科技有限公司18721763493

上海稳同科技有限公司02151600108 13062666369 · [email protected]

梯尔希（南京）药物研发有限公司18012923235 · [email protected]

연결된 노트

불러오는 중…