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2,2',3,3',4,4',5,5',6-Nonabromodiphenyl ether

HCID 45472
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
63387-28-0
표준 SMILES
Brc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br
InChIKey
CYRHBNRLQMLULE-UHFFFAOYSA-N
분자식
C12HBr9O
평균 분자량
880.3 g/mol
단동위원소 질량
871.26778

개요

Nonabromodiphenyl ethers are organobromine compounds, as well as polybrominated diphenyl ethers containing four bromine atoms. Polybrominated diphenyl ethers (PBDEs) are flame-retardant man-made chemicals found in plastics used in a variety of consumer products to make them difficult to burn. PBDEs exist as mixtures of similar chemicals called congeners. Because they are mixed into plastics and foams rather than bound to them, PBDEs can leave the products that contain them and enter the environment. (L628)

이름 및 식별자

우선 이름
2,2',3,3',4,4',5,5',6-Nonabromodiphenyl ether
IUPAC
1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
영어명
2,2',3,3',4,4',5,5',6-nonabromodiphenylether
분자식
C12HBr9O
분자량
880.27

이름 및 동의어

63387-28-0BDE-206PBDE 2062,2',3,3',4,4',5,5',6-nonabromodiphenyl etherBDE2062O56GK0P1RBenzene, 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)-DTXSID30881107RefChem:854453DTXCID904233Nonabromodiphenyl ether1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene
이름 더 보기
PBDE No. 206BDE No 206 solutionPBDE 206 50 μg/mL in Toluene2,2',3,3',4',5,5',6-Nonabromodiphenyl ether2,2',3,3',4,4',5,5',6-Nonabromodiphenylether2,3,4,5-Tetrabromophenyl(pentabromophenyl) ether(2,3,4,5-Tetrabromophenyl)(pentabromophenyl) etherPBDE206(2,2',3,3',4,4',5,5',6-NobromodiphenylEther)PBDE 206 (2,2',3,3',4,4',5,5',6-Nobromodiphenyl Ether)PBDE 206(2,2',3,3',4,4',5,5',6-Nonabromodiphenyl ether)
NonabromophenoxybenzeneNONABROMODIPHENYLETHERUNII-2O56GK0P1RBDE 20663936-56-1Nonabromodiphenyl oxidePENTABROMO(TETRABROMOPHENOXY)BENZENEEINECS 264-565-7

데이터베이스 식별자

CAS
63387-28-0、63936-56-1
PubChem CID
45472
DTXSID
DTXSID30881107
UNII
2O56GK0P1R
EC Number
264-565-7
Nikkaji
J248.383A

물성

구조 계산 물성

XLogP
9.7
극성 표면적
9.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
22
형식 전하
0
복잡도
370

실험 및 물리화학적 성질

PolymersPolybrominated diphenyl ether
PesticidesPesticide -> EPA IRIS
Collision Cross Section202.1 Ų [M-Br+O]-

물리화학적 성질

인화점
-12 °C · -12 °C
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨), THF(약간 용해됨)
물리적 상태
고체
색상
Off-White to Dark Red
Henry's Law Constant
4.7 · 4.7×101 mol/(m3Pa) at 25℃, Long et al. (2017)
InChI
InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H
InChIKey
CYRHBNRLQMLULE-UHFFFAOYSA-N
SMILES
C1(Br)=C(OC2=CC(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br
EPA
1 · Benzene, 1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)- (63387-28-0)

안전 및 규제

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

GHS 분류

GHS Classification · 3건

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1,2,3,4,5-pentabromo-6-(tetrabromophenoxy)-

S - indicates a substance that is identified in a final Significant New Use Rule.

Benzene, pentabromo(tetrabromophenoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Benzene, pentabromo(tetrabromophenoxy)-: Environment tier I assessment
Hazard Classes and CategoriesAquatic Chronic 4 (100%)

안전 및 보호

Minimum Risk LevelIntermediate Inhalation: 0.006 mg/m3 (L134) Acute Oral: 0.03 mg/kg/day (L134) Intermediate Oral: 0.007 mg/kg/day (L134)

독성 정보

Treatment · 1건

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

Health EffectsPolybrominated diphenyl ethers may affect the thyroid gland and liver. Animals studies have also shown that PDBEs can cause neurobehavioral alterations and affect the immune system. (L628)
Exposure RoutesOral (L628) ; inhalation (L628) ; dermal (L628)
Toxicity Summary · 1건

Like other halogenated aromatic hydrocarbons, polybrominated diphenyl ethers bind to the cellular aryl hydrocarbon receptor (AhR), which regulates the synthesis of a variety of proteins. Activation of the AhR induces a number of enzymes, including cytochrome P-450-dependent monooxygenases of the CYP1A and CYP2B families, UDP-glucuronosyltransferase, and ethoxyresorufin-o-deethylase. PBDEs are also believed to disrupt the production, transport, and disposition of thyroid hormones. One mechanism of this involves metabolites ot PDBEs competing with thyroxine to bind to transthyretin, decreasing serum thyroid hormone levels. This change in thyroid hormone levels has been linked to both thyroid toxicity and neurobehavioral alterations. Certain PDBEs and their metabolites are also endocrine disruptors and may act as agonists at the estrogen receptors or antagonists at the androgen and progesterone receptors. (L628, A262)

EPA IRIS InformationNonabromodiphenyl ether
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

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

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Polybrominated biphenyls can be absorbed through oral, inhalation, and dermal routes. Once in the body they distribute throughout and bioaccumulate in the blood, breast milk, and adipose tissue. The extent of PBDE metabolism depends on the degree of bromination. Metabolism is believed to involve debromination and methylation, resulting in phenolic metabolites. Metabolized and unmetabolized PDBE compounds are excreted mainly in the faeces. (L628, L881)

용도 및 제조

Uses · 1건

Polybrominated diphenyl ethers (PBDEs) are flame-retardant chemicals found in plastics used in a variety of consumer products to make them difficult to burn. Because they are mixed into plastics and foams rather than bound to them, PBDEs can leave the products that contain them and enter the environment. (L628)

General Manufacturing InformationBenzene, 1,2,3,4,5-pentabromo-6-(tetrabromophenoxy)-: ACTIVE

응용 분야

용도1,2,3,4,5-Pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene is a polybrominated diphenyl ethers (PBDEs) found as a contaminant in soil.

상·하류 제품 정보

상류 원료

2,2',3,3',4,4',5,6,6'-nonabde2,23,4,45,6-HEPTABROMODIPHENYL ETHER데카브로모디페닐에테르디페닐에테르

하류 제품

2,2,3,3,4,5,5,6,6-NONABROMODIPHENYL ETHER

공급사2 곳

BOC Sciences1-631-485-4226; 16314854226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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