Basic information
- CAS
171364-86-6- Standard SMILES
CC1(C)OB(c2csc3ccccc23)OC1(C)C- InChIKey
LTSGSDOTQABJMA-UHFFFAOYSA-N- Molecular formula
- C14H17BO2S
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 260.1042311
Names & identifiers
- Preferred name
- Benzo[b]thiophene-3-boronic acid pinacol ester
- IUPAC
- 2-(1-benzothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- Benzo[b]thiophene-3-boronic acid pinacol ester, 95%
- Molecular formula
- C14H17BO2S
- Molecular weight
- 260.16
Names & synonyms
Benzo[b]thiophene-3-boronic acid pinacol esterBenzo(b)thiophene-3-boronic acid pinacol esterRefChem:565179893-808-5171364-86-62-(Benzo[b]thiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-(1-Benzothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane2-Benzo[b]thiophen-3-yl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneMFCD111105522-(Benzo[b]thiophen-3-yl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneSCHEMBL574089DTXSID80443173
Show more names
Benzobthiophene-3-boronic acid picol esterBenzothiophene-3-boronic acid pinacol esterBenzo[b]thiophene-3-boronicacidpinacolester,95%2-Benzo[b]thiophen-3-yl-4,4,5,5-tetramethyl- [1,3,2]dioxaborolane
Benzo[b]thiophene, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SB342222-Benzo[b]thiophen-3-yl-4,4,5,5-tetramethyl-1,3,2-dioxaboro lane1-Benzothiophene-3-boronic Acid Pinacol EsterD71590LTSGSDOTQABJMA-UHFFFAOYSA-NLTSGSDOTA881933
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 377.7 · 377.7±15.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 171364 · 171364-86-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers47 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
吉林中科研伸科技有限公司18143011203 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Related reactions
3 records
Compound notes
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