Basic information
- CAS
269410-24-4- Standard SMILES
CC1(C)OB(c2ccc3[nH]ccc3c2)OC1(C)C- InChIKey
FATPQDPUKVVCLT-UHFFFAOYSA-N- Molecular formula
- C14H18BNO2
- Average molar mass
- 243.11 g/mol
- Monoisotopic mass
- 243.14305922
Names & identifiers
- Preferred name
- 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
- IUPAC
- 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
- English name
- 5-Indoleboronic acid pinacol ester
- Molecular formula
- C14H18BNO2
- Molecular weight
- 243.11
Names & synonyms
269410-24-45-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indoleDTXSID40370496RefChem:101681DTXCID10321531625-804-45-Indoleboronic acid pinacol esterMFCD03789263Indole-5-boronic acid pinacol ester5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole1H-Indole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-INDOLYL-5-BORONIC ACID PINACOL ESTER
Show more names
5-IndoLIndolyl-5-borIndolyl-5-boronic acid pi...5-Indoleboronic acid picol ester1H-indol-5-ylboronic acid pinacol5-ndoleboronic acid pinacol ester5-INDOLEBORONIC ACID, PINACOL ESTER
INDOLE-5-BORONIC ACID, PINACOL ESTER5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole(1H-INDOL-5-YL)BORONIC ACID PINACOL ESTERGS-6535PB14363Z17419606251H-Indole-5-boronic acid pinacol ester5-Indolylboronic acid, pinacol ester
Database identifiers
- CAS
269410-24-4- PubChem CID
- 2734772
- DTXSID
DTXSID40370496- EC Number
- 625-804-4
- Nikkaji
- J2.422.743J
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
- 120 · 120-125 °C (lit.)
- Boiling point
- 396 · 396.0±15.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Crystalline Powder
- pka
- 17.01 · 17.01±0.30(Predicted)
- color
- Pale yellow to brown
- Water Solubility
- Insoluble
- InChI
- 1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)11-5-6-12-10(9-11)7-8-16-12/h5-9,16H,1-4H3
- InChIKey
- FATPQDPUKVVCLT-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccc3[nH]ccc3c2
- CAS DataBase Reference
- 269410 · 269410-24-4(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36-36/37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
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)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIndole-5-boronic acid, pinacol ester
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
瑞果（苏州）新材料有限公司0512-87813132-801 13913535368
韶远科技（上海）有限公司021-50795510 4000665055 · [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0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
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]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
安徽合诺生物科技有限公司18455579438
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
杭州东帆化学有限公司86-0571-85151182
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
上海朵成医药科技有限公司021-34716221 15800796336 · [email protected]
越林试剂021-62960152 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海蓉霖医药科技有限公司18602194589 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
Related reactions
38 records
Compound notes
Loading…