기본 정보
- 표준 SMILES
Brc1c2ccccc2c(Br)c2ccccc12- InChIKey
BRUOAURMAFDGLP-UHFFFAOYSA-N- 분자식
- C14H8Br2
- 평균 분자량
- 336.02 g/mol
- 단동위원소 질량
- 333.89928
이름 및 식별자
- 우선 이름
- 9,10-Dibromoanthracene
- IUPAC
- 9,10-dibromoanthracene
- 영어명
- 9,10-Dibromoanthracene
- 분자식
- C14H8Br2
- 분자량
- 336.02
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
523-27-3- PubChem CID
- 68226
- DTXSID
DTXSID5049312- ChEMBL
CHEMBL3183379- UNII
- 61CP7C5Y82
- EC Number
- 208-342-4
- Nikkaji
- J6.630C
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 203
물리화학적 성질
- 녹는점
- 223 · 223-224 °C (lit.)
- 끓는 점
- 342.21 °C · 342.21°C (rough estimate)
- 밀도
- 1.7167 · 1.7167 (estimate)
- 굴절률
- 1.63 · 1.6300 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름에 용해됨
- 물리적 상태
- 푹신한 가루
- 색상
- 노란색에서 노란색-녹색
- 수용성
- 물에 용해됩니다.
- Merck
- 14 · 14,3018
- BRN
- 1912109 · 1912109
- InChI
- 1S/C14H8Br2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
- InChIKey
- BRUOAURMAFDGLP-UHFFFAOYSA-N
- SMILES
- Brc1c2ccccc2c(Br)c3ccccc13
- NIST
- 9 · Anthracene, 9,10-dibromo-(523-27-3)
- EPA
- 9 · Anthracene, 9,10-dibromo- (523-27-3)
화학적 성질
Yellow to yellow-green fluffy powder. Melting point 226°C. It can be sublimated and oxidized to generate anthraquinone. It is soluble in hot benzene and hot toluene, but only slightly soluble in alcohol, ether, and cold benzene. It is insoluble in water.
안전 및 규제
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077
- HS 번호
- 29039990
- risk_code
- 36/37/38-50/53
- hazard_code
- Xi,N
- safety_code
- 37/39-26-61-60-36
- 위험 등급
- 9
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요9,10-Dibromoanthracene is an organic chemical compound containing anthracene with two bromine atoms substituted on its central ring. As a symmetrically brominated anthracene derivative, it is bearing functional groups to extend its conjugation further mainly via C-C bond forming i.e. Stille and Suzuki coupling reactions. It is notable in that it was the first single molecule to have a chemical reaction observed by an atomic force microscope and scanning tunneling microscopy. It is a low-molecular-weight organic semiconductor. It can used as an initiator in visible-spectrum solar-light-mediated benzylic C–H oxygenation through solar light or the blue LED activate[1-2].
용도9,10-Dibromoanthracene is a dibrominated polycyclic aromatic hydrocarbon (PAH). 9,10-Dibromoanthracene is often used as an energy acceptor and activator in reactions that produce chemiluminescence.
제조 방법
9,10-Dibromoanthracene is synthesized by the bromination of anthracene. The bromination reaction is carried out at room temperature using carbon tetrachloride as a solvent. Using 80-85% anthracene as raw material, adding bromine to react for half an hour, the yield is 83-88%.
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