Basic information
- CAS
458532-84-8- Standard SMILES
CC1(C)OB(c2ccnc(Cl)c2)OC1(C)C- InChIKey
UUEQDBHKMOFLDP-UHFFFAOYSA-N- Molecular formula
- C11H15BClNO2
- Average molar mass
- 239.51 g/mol
- Monoisotopic mass
- 239.0884368
Names & identifiers
- Preferred name
- 2-Chloropyridine-4-boronic acid, pinacol ester
- IUPAC
- 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- English name
- 2-Chloropyridine-4-boronic acid pinacol ester
- Molecular formula
- C11H15BClNO2
- Molecular weight
- 239.51
Names & synonyms
2-Chloropyridine-4-boronic acid, pinacol esterRefChem:470511640-537-3458532-84-82-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-Chloropyridine-4-boronic acid pinacol esterMFCD040398702-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-pyridine2-Chloro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine2-Chloropyridine-4-boronicacid pinacol esterFT-0677405Pyridine, 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Show more names
H500702-Chloro-4-(4CAS:458532-84-82-chloropyridine-4-borate acid2-CHLOROPYRIDINE-4-BORONIC PINACOL ESTER6-Chloropyridine-4-boronic acid pinacol ester2-CHLOROPYRIDIN-4-YLBORONIC ACID PINACOL ESTER2-Chloropyridine-4-boronic acid pinacol ester，98%2-Chloropyridine-4-boronic acid, pinacol ester 97%
2-CHLOROPYRIDINE-4-BORONIC ACID PINACOLSCHEMBL394155(2-CHLOROPYRIDIN-4-YL)BORONIC ACID PINACOL ESTERSCHEMBL295027542-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineDTXSID30408358SBB099132AKOS015851291
Database identifiers
- CAS
458532-84-8- PubChem CID
- 5103408
- DTXSID
DTXSID30408358- EC Number
- 640-537-3
- Nikkaji
- J1.748.339K
Properties
Computed structural properties
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 64.7 · 64.7-64.8°C
- Boiling point
- 338.2 · 338.2±27.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -0.58 · -0.58±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- 1S/C11H15BClNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8/h5-7H,1-4H3
- InChIKey
- UUEQDBHKMOFLDP-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccnc(Cl)c2
- CAS DataBase Reference
- 458532 · 458532-84-8(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25-36
- Safety Statements
- 26 · 26-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2
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
Danger
H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 9 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 CategoriesAcute Tox. 3 (11.1%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 2933399990
- risk_code
- 25-36
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 26-45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P301+P310-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloropyridine-4-boronic acid pinacol ester is a pharmaceutical intermediate ingredient used in the preparation of anti-tumour inhibitor pyrimidine compounds, mainly in organic reagents and experimental research.
Upstream & downstream products
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海冷泉生物科技有限公司13918064236 · [email protected]
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TCI Europe320-37350700 · [email protected]
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常州凯立医药科技有限公司0519-81096292 15312577869 · [email protected]
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北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
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湖南华腾制药有限公司400-8592883 · [email protected]
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Related reactions
11 records
Compound notes
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