기본 정보
- 표준 SMILES
Brc1ccc2oc3ccccc3c2c1- InChIKey
CRJISNQTZDMKQD-UHFFFAOYSA-N- 분자식
- C12H7BrO
- 평균 분자량
- 247.09 g/mol
- 단동위원소 질량
- 245.96802694
개요
2-Bromodibenzofuran is a halogenated dibenzofuran. It is relatively nontoxic although it is irritating to mucous membranes and the upper respiratory tract. It is primarily a laboratory chemical although it can be generated from the production of coal tar or coal gas.
이름 및 식별자
- 우선 이름
- 2-Bromodibenzofuran
- IUPAC
- 2-bromodibenzofuran
- 현지명
- 2- 브로 모디 벤조 [b, d] 퓨란
- 영어명
- 2-Bromodibenzofuran
- 분자식
- C12H7BrO
- 분자량
- 247.09
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
86-76-0- PubChem CID
- 6856
- DTXSID
DTXSID20235337- UNII
- C36TC73SME
- EC Number
- 659-733-5
- Nikkaji
- J405.015K
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 13.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 218
물리화학적 성질
- 녹는점
- 121 · 121-122℃
- 끓는 점
- 344 ℃ · 344℃
- 밀도
- 1.577 · 1.577
- 굴절률
- 1.529 · 1.5290 (estimate)
- 인화점
- 162 ℃ · 162℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 뜨거운 메탄올에 용해됩니다.
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C12H7BrO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
- InChIKey
- CRJISNQTZDMKQD-UHFFFAOYSA-N
- SMILES
- O1C2=CC=CC=C2C2=CC(Br)=CC=C12
화학적 성질
off-white powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
독성 정보
Treatment
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.
Toxicity Summary
As a strong lachrymator, one of the most probable protein targets is the TRPA1 ion channel that is expressed in sensory nerves (trigeminal nerve) of the eyes, nose, mouth and lungs. Halogenated dibenzofurans (PCDFs and PBDFs) bind the aryl hydrocarbon receptor (AhR), which increases its ability to activate transcription in the XRE (xenobiotic resoponse element) promoter region. Specifically AhR binds to the PCDF, translocates it to the nucleus and together with hydrocarbon nuclear translocator (ARNT) and xenobiotic responsive element (XRE) increases the expression of CYP1A1 and aryl hydrocarbon hydroxylase (CYP1B1). AhR signaling also increseases conversion of arachidonic acid to prostanoids via cyclooxygenase-2, alters Wnt/beta-catenin signaling downregulating Sox9 and alters signaling by receptors for inflammatory cytokines. AhR signalling also alters proteasomal degradation of steroid hormone receptors, alters cellular UVB stress response and changes the differentiation of certain T-cell subsets. The resulting AhR mediated activation and alteration leads to body weight loss, cancer and thymic atrophy (characteristic of immune and endocrine disruption) which are common toxic responses to PCDFs and related toxic halogenated aryl hydrocarbons.
안전 데이터
- HS 번호
- 29329990
- risk_code
- 22-36-53
- safety_code
- 26-36-60-61
화학 및 산업
용도 및 제조
Uses
2-Bromodibenzofuran is an industrial chemical. Small amounts may be produced through the production of coal tar or in coal gasification operations. Dibenzofurans are released to the ambient air from combustion sources. Dibenzofurans may be found in coke dust, grate ash, fly ash, and flame soot. The general public may be exposed to dibenzofurans through the inhalation of contaminated air or through the consumption of contaminated drinking water or food. Dibenzofurans have been identified in tobacco smoke.
응용 분야
개요2-Bromo-dibenzofuran is the bromo modified form of dibenzofuran, an aromatic compound consisting two benzene rings fused to a central furan ring. It can be used as a reagent in Friedel-Crafts acylation reactions.
용도2-Bromodibenzofuran is used as a reagent in Friedel-Crafts acylation reactions.
상·하류 제품 정보
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