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3,3'- 디 브로 모 -1,1'- 비 페닐

3,3'-Dibromobiphenyl

HCID 153987
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
16400-51-4
표준 SMILES
Brc1cccc(-c2cccc(Br)c2)c1
InChIKey
LPLLWKZDMKTEMV-UHFFFAOYSA-N
분자식
C12H8Br2
평균 분자량
312 g/mol
단동위원소 질량
309.89927446

개요

3,3'-Dibromobiphenyl is a polybrominated biphenyl. Polybrominated biphenyls (PBBs) are a group of 209 synthetic organic compounds with 1-10 bromine atoms attached to biphenyl. They can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

이름 및 식별자

우선 이름
3,3'-Dibromobiphenyl
IUPAC
1-bromo-3-(3-bromophenyl)benzene
현지명
3,3'- 디 브로 모 -1,1'- 비 페닐
영어명
1-bromo-3-(3-bromophenyl)benzene
분자식
C12H8Br2
분자량
312

이름 및 동의어

3,3'-Dibromo-1,1'-biphenyl3,3'-dibromobiphenyl1-bromo-3-(3-bromophenyl)benzene1,1'-Biphenyl, 3,3'-dibromo-UNII-4N7BB4740Z4N7BB4740ZPBB 11DTXSID50167692RefChem:90670DTXCID9090183803-115-116400-51-4
이름 더 보기
3,3'-디브로모-1,1'-비페닐1-브로모-3-(3-브로모페닐)벤젠3,3'-DBB1-broMo-3-(3-broMophm,m'-Dibromobiphenyl3,3'-Bibromo biphenylBiphenyl, 3,3'-dibromo-1,1'-Biphenyl,3,3'-dibroMo-
MFCD209267883,3'-DibromodiphenylSCHEMBL312091SCHEMBL5584568SCHEMBL6683909SCHEMBL8378576SCHEMBL15066583SCHEMBL29546450

데이터베이스 식별자

CAS
16400-51-4
PubChem CID
153987
DTXSID
DTXSID50167692
UNII
4N7BB4740Z

물성

구조 계산 물성보충 중

XLogP
4.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
1
무거운 원자 수
14
형식 전하
0
복잡도
161

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점
171 °C · 171 °C
끓는 점
338.6 · 338.6±17.0 °C(Predicted)
밀도
1.667 · 1.667
저장 조건
Sealed in dry,Room Temperature
InChI
InChI=1S/C12H8Br2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
InChIKey
LPLLWKZDMKTEMV-UHFFFAOYSA-N
SMILES
C1(C2=CC=CC(Br)=C2)=CC=CC(Br)=C1

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Minimum Risk LevelAcute Oral: 0.01 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 EffectsPBB exposure may cause weight loss, skin disorders (such as acne), nervous and immune systems effects, and effects on the liver, kidneys, and thyroid gland. (L628)
Exposure Routes

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

PBBs can be absorbed via oral, inhalation, and dermal routes. Due to their lipophilic nature, PBBs, especially the highly brominated congeners, tend to accumulate in lipid-rich tissues such as the liver, adipose, skin, and breast milk. Certain PBB compounds are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 of the type induced by phenobarbital. The rate of metabolism may depends on the bromine substitution pattern. PBB congeners of low bromine content are transformed into hydroxylated derivatives that are predominately eliminated in the urine. Highly brominated congeners are either retained or excreted unchanged in the feces. (L628)

용도 및 제조

Uses · 1건

PBBs can be used as flame retardants and may be added to the plastics used to make products like computer monitors, televisions, textiles, and plastic foams to make them difficult to burn. However, the use of PBBs is banned or restricted in most areas due to their toxicity and persistence in the environment. (L628, L629)

상·하류 제품 정보

하류 제품

1,6-Dibromopyrene2,4,6-트리메틸요오도벤젠

관련 반응

1건
반응 기록 만들기
HRID 1424767 반응식
HRID 1424767반응물로uspto-grants-2015_01

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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EC Number
803-115-1
Nikkaji
J82.503D
Oral (L628) ; inhalation (L628) ; dermal (L628)
Toxicity Summary · 1건

The exact mechanism of toxicty of PBBs varies depending on the specific congener. The predominant interaction is believed to involve the aryl hydrocarbon receptor (AhR). PBBs bind to and activate the AhR, which in turn initiates the transcriptional upregulation of a number of genes, affecting biochemical and endocrine pathways, cell cycle regulation, morphogenesis, oxidative stress response, and various other processes. This results in the numerous toxic responses characteristic of PBBs. Some of the known induced genes include the cytochrome P-450-dependent monooxygenases CYP1A1 and CYP1A2. (L628)

Signs and SymptomsSymptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629)
Carcinogen Classification2A, probably carcinogenic to humans. (L135)

안전 데이터

HS 번호
2903998090