기본 정보
- CAS
884010-25-7- 표준 SMILES
OB(O)c1cc2cc(Br)ccc2s1- InChIKey
RUQKSUMPFAJLNQ-UHFFFAOYSA-N- 분자식
- C8H6BBrO2S
- 평균 분자량
- 256.92 g/mol
- 단동위원소 질량
- 255.93649
이름 및 식별자
- 우선 이름
- 5-Bromobenzo(b)thiophene-2-boronic acid
- IUPAC
- (5-bromo-1-benzothiophen-2-yl)boronic acid
- 현지명
- 5-BROMOBENZO[B]티오펜-2-붕소산
- 영어명
- 5-Bromobenzo[b]thiophene-2-boronic acid
- 분자식
- C8H6BBrO2S
- 분자량
- 256.91
이름 및 동의어
5-BROMOBENZO[B]THIOPHENE-2-BORONIC ACID5-Bromobenzo(b)thiophene-2-boronic acidRefChem:534037801-181-6884010-25-7(5-Bromobenzo[b]thiophen-2-yl)boronic acid(5-bromo-1-benzothiophen-2-yl)boronic acidMFCD06801728CHEMBL397522(5-Bromobenzo[b]thiophen-2-yl)boronicacidSCHEMBL1901107DTXSID20629631
이름 더 보기
5-BROMOBENZO[B]티오펜-2-붕소산AKOS BRN-06402-Borono-5-bromobenzo[b]thiophene(5-BROMO-1-BENZOTHIEN-2-YL)BORONIC ACIDBoronic acid, B-(5-bromobenzo[b]thien-2-yl)-5-BROMOBENZO[B]THIOPHENE-2-BORONIC ACID ISO 9001：2015 REACH2-Borono-5-bromobenzo[b]thiophene, 5-Bromo-1-benzothiophene-2-boronic acid
RUQKSUMPFAJLNQ-UHFFFAOYSA-NBDBM50225376AKOS004113985AB30186(5-bromobenzothiophen-2-yl)boronic acidAS-432385-bromobenzeno[B]thiophene-2-boronic acidCS-0110021
데이터베이스 식별자
- CAS
884010-25-7- PubChem CID
- 23005355
- DTXSID
DTXSID20629631- ChEMBL
CHEMBL397522- EC Number
- 801-181-6
- Nikkaji
- J3.301.127J
물성
구조 계산 물성
- 극성 표면적
- 68.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 193
물리화학적 성질
- 끓는 점
- 442.6 · 442.6±48.0 °C(Predicted)
- 밀도
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 6.61 · 6.61±0.30(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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 3 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 (66.7%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (66.7%)
안전 데이터
- HS 번호
- 2934999090
- risk_code
- 22
- hazard_code
- Xi,Xn
- 위험 참고 사항
- Irritant
화학 및 산업
공급사23 곳
上海埃逸科技有限公司13916181326 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
Zjartspharm Co., Ltd
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