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기본 정보
- CAS
117695-55-3- 표준 SMILES
OB(O)c1cc(Br)cc(Br)c1- InChIKey
WQBLCGDZYFKINX-UHFFFAOYSA-N- 분자식
- C6H5BBr2O2
- 평균 분자량
- 279.72 g/mol
- 단동위원소 질량
- 277.87493
이름 및 식별자
- 우선 이름
- 3,5-Dibromobenzeneboronic acid
- IUPAC
- (3,5-dibromophenyl)boronic acid
- 영어명
- 3,5-DIBROMOBENZENEBORONIC ACID
- 분자식
- C6H5BBr2O2
- 분자량
- 279.72
이름 및 동의어
3,5-Dibromobenzeneboronic acidRefChem:486662681-178-23,5-Dibromophenylboronic acid117695-55-3(3,5-dibromophenyl)boronic AcidMFCD010757253,5-Dibromophenyl boronic acid3,5-dibromobenzene boronic acidBoronic acid, (3,5-dibromophenyl)-3,5-DibromophenylboronicacidSCHEMBL257564
이름 더 보기
AKOS BRN-0062RARECHEM AH PB 00253,5-DIBROMBENZOLBORONSAEURE5-DIBROMOBENZENEBORONIC ACID3,5-DibroMobenzeneboronic Aicd3,5-Dibromophenylboronic acid,97%3,5-Dibromobenzeneboronic acid 98%
DTXSID50370447WQBLCGDZYFKINX-UHFFFAOYSA-NAKOS004116549AB08177AS-2609CS-W000861FD33437SY037759
데이터베이스 식별자
- CAS
117695-55-3- PubChem CID
- 2734689
- DTXSID
DTXSID50370447- EC Number
- 681-178-2
- Nikkaji
- J2.012.820H
물성
구조 계산 물성보충 중
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 124
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 끓는 점
- 382.8 · 382.8±52.0 °C(Predicted)
- 밀도
- 2.09 · 2.09±0.1 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 6.58 · 6.58±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- White to Light yellow to Light orange
- BRN
- 6645285 · 6645285
- InChI
- InChI=1S/C6H5BBr2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
- InChIKey
- DKYRKAIKWFHQHM-UHFFFAOYSA-N
- SMILES
- B(C1=CC(Br)=CC(Br)=C1)(O)O
화학적 성질
brown crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (14.3%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2 (85.7%)；Acute Tox. 4 (14.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 29319090
- risk_code
- 36/37/38-22
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-24/25
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Reactant involved in:Vacuo condensation and on-surface radical addition for synthesis of phenylene-boroxine networksLithiation of dihalophenyl dioxazaborocines yielding functionalized dihalophenylboronic acidsCycloboronation of tetrasubstituted butanetetraolsHomocoupling of arylboronic acidsSynthesis of borondipyrromethene hybridsStudies of structure and activity of NHC and dendritic NHC iridium complexes
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司
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