Basic information
- CAS
642494-37-9- Standard SMILES
CC1(C)OB(c2cccc3cc[nH]c23)OC1(C)C- InChIKey
QAXZRSICOHKXML-UHFFFAOYSA-N- Molecular formula
- C14H18BNO2
- Average molar mass
- 243.11 g/mol
- Monoisotopic mass
- 243.14305922
Names & identifiers
- Preferred name
- 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
- IUPAC
- 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
- English name
- Indole-7-boronic acid pinacol ester
- Molecular formula
- C14H18BNO2
- Molecular weight
- 243.11
Names & synonyms
7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indoleRefChem:545276802-001-9642494-37-97-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indoleIndole-7-boronic acid pinacol esterMFCD086695911H-INDOLE, 7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-INDOLE-7-BORONIC ACID, PINACOL ESTER1H-INDOL-7-YLBORONIC ACID PINACOL ESTER(1H-INDOL-7-YL)BORONIC ACID PINACOL ESTERSCHEMBL2028185
Show more names
1H-Indole-7-boronic acid, pinacol esterREF DUPL: Indole-7-boronic acid pinacol esterIndole-7-boronic acid pinacol ester - [I12588]4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1H-indol-7-ylboronate
SCHEMBL29469161DTXSID30460557QAXZRSICOHKXML-UHFFFAOYSA-NAKOS000283802CS-W022521PB22194NCGC00662870-01DS-16983
Database identifiers
- CAS
642494-37-9- PubChem CID
- 11265016
- DTXSID
DTXSID30460557- EC Number
- 802-001-9
- Nikkaji
- J2.831.895B
Properties
Computed structural properties
- Topological polar surface area
- 34.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 94 · 94-96 °C
- Boiling point
- 396 · 396.0±15.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- crystalline powder
- pka
- 17.01 · 17.01±0.30(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280-P271
- Hazard Codes
- Xi
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280-P271
Chemistry & industry
Applications
UsesIndole-7-boronic acid, pinacol ester
Upstream & downstream products
Upstream raw materials
Suppliers75 total
杭州品高化工有限公司0571-87658025 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[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]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [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]
北京红惠新医药科技有限公司0101-80456172 · [email protected]
上海舒盟医药科技有限公司021-54540637 18621091017 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
常州凯立医药科技有限公司0519-81096292 15312577869 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海驭远医药科技有限公司13052276172 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
成都安斯利生物医药有限公司028-85305008 02885305008 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
河南久化生物科技有限公司15738884691 153248764872949584887 237654463 · [email protected]
上海思域化工科技有限公司021-34053660 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
成都福瑞斯特科技发展有限公司028-87925786 18010564218 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
Related reactions
3 records
Compound notes
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