기본 정보
- 표준 SMILES
Cc1sccc1B(O)O- InChIKey
IOZXRAJFXAKLNI-UHFFFAOYSA-N- 분자식
- C5H7BO2S
- 평균 분자량
- 141.99 g/mol
- 단동위원소 질량
- 142.02598086
이름 및 식별자
- 우선 이름
- 2-Methylthiophene-3-boronic acid
- IUPAC
- (2-methylthiophen-3-yl)boronic acid
- 현지명
- (2-메틸티오펜-3-일)보론산
- 영어명
- (2-Methylthiophen-3-yl)boronic acid
- 분자식
- C5H7BO2S
- 분자량
- 141.98
이름 및 동의어
2-methylthiophene-3-boronic acidRefChem:476299846-800-0177735-10-3(2-Methylthiophen-3-yl)boronic acid2-methyl-3-thiopheneboronic acid(2-Methyl-3-thienyl)boronic acidMFCD12032042Boronic acid, B-(2-methyl-3-thienyl)-SCHEMBL577560DTXSID406194182-Methyl-thiophene-3-boronic acid
이름 더 보기
(2-메틸티오펜-3-일)보론산2-METHYLTHIOPHENE-3-BORONIC ACID(RS20016085)(2-Methylthiophen-3-yl)boronic acid (contains varying amounts of Anhydride)
GS-5788SY022596F11322A852395AKOS015892931DB-010480EN300-212541F215106
데이터베이스 식별자
- CAS
177735-10-3- PubChem CID
- 21884630
- DTXSID
DTXSID40619418- EC Number
- 846-800-0
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
- 9
- 형식 전하
- 0
- 복잡도
- 99
물리화학적 성질
- 끓는 점
- 299.5 · 299.5±42.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- 산도 계수 (pKa)
- 8.33 · 8.33±0.58(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- HS 번호
- 2934999090
화학 및 산업
응용 분야
용도2-Methylthiophene-3-boronic acid (cas# 177735-10-3) is used as a reagent in the preparation of functionalized heterocycles as antiviral agents.
공급사47 곳
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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Zjartspharm Co., Ltd15068876005 · [email protected]
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career henan chemical co+86-0371-86658258 · [email protected]
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Aladdin Scientific[email protected]
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Shanghai Scochem Technology Co., Ltd+86-021-33758897 +86-13701882790 · [email protected]
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上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
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