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2,2',3,3',4,5'-Hexabromodiphenyl ether

HCID 22833472
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
446254-88-2
표준 SMILES
Brc1cc(Br)c(Br)c(Oc2ccc(Br)c(Br)c2Br)c1
InChIKey
YURCHLXPAGSJHU-UHFFFAOYSA-N
분자식
C12H4Br6O
평균 분자량
643.6 g/mol
단동위원소 질량
637.53624

개요

Hexabromodiphenyl 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',4,5'-Hexabromodiphenyl ether
IUPAC
1,2,3-tribromo-4-(2,3,5-tribromophenoxy)benzene

이름 및 동의어

2,2',3,3',4,5'-Hexabromodiphenyl etherPBDE 130UNII-43RJL1RVQF43RJL1RVQF446254-88-2Benzene, 1,2,3-tribromo-4-(2,3,5-tribromophenoxy)-DTXSID70881106YURCHLXPAGSJHU-UHFFFAOYSA-NNS000593521,2,3-Tribromo-4-(2,3,5-tribromophenoxy)benzeneQ27258665

데이터베이스 식별자

CAS
446254-88-2
PubChem CID
22833472
DTXSID
DTXSID70881106
UNII
43RJL1RVQF
Nikkaji
J201.376B

물성

구조 계산 물성

XLogP
7.6
극성 표면적
9.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
19
형식 전하
0
복잡도
304

안전 및 규제

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

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)

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)

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0건
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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).