Basic information
- CAS
406463-06-7- Standard SMILES
CC1(C)OB(c2ccc3ncccc3c2)OC1(C)C- InChIKey
VMFALDWCEQUFSX-UHFFFAOYSA-N- Molecular formula
- C15H18BNO2
- Average molar mass
- 255.12 g/mol
- Monoisotopic mass
- 255.143059
Names & identifiers
- Preferred name
- 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
- IUPAC
- 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
- English name
- 6-Quinolineboronic acid pinacol ester, 97%
- Molecular formula
- C15H18BNO2
- Molecular weight
- 255.12
Names & synonyms
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinolineDTXSID30584560RefChem:1073686DTXCID80535325406463-06-76-Quinolineboronic acid pinacol esterQuinoline-6-boronic acid, pinacol esterMFCD06411327Quinoline-6-boronic acid pinacol ester6-QuinolineboronicacidpinacolesterSCHEMBL418496SCHEMBL29502750
Show more names
6-Quinolineboronic acid pinaQuinoline-6-boronic acid picol esterQuinoline-6-boronic acid,pinacol ester6-Quinolineboronic acid pinacol ester 97%4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline2-(Quinolin-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneQuinoline, 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline, 6-Quinolylboronic acid pinacol ester
SCHEMBL315134796-Quinolylboronic acid pinacol esterAKOS015897210AB25228CS-W000927DS-17399SY1049626-Quinolineboronic acid pinacol ester, 97%
Properties
Computed structural properties
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Melting point
- 62 · 62-66 °C(lit.)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Powder or Crystalline Solid
- color
- White to pale orange
- InChI
- 1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h5-10H,1-4H3
- InChIKey
- VMFALDWCEQUFSX-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccc3ncccc3c2
- 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
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 42 reports by companies from 5 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
- 2933499090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- 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
Upstream & downstream products
Upstream raw materials
Suppliers79 total
上海康恩博医药科技有限公司17510465506 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
396 records
Compound notes
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