Basic information
- CAS
408492-29-5- Standard SMILES
COC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
OUPWIYDRPYRHNT-UHFFFAOYSA-N- Molecular formula
- C14H18BClO4
- Average molar mass
- 296.55 g/mol
Names & identifiers
- Preferred name
- Methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- IUPAC
- methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- English name
- 3-Chloro-5-methoxycarbonyl-phenyl-boronic acid pinacol ester
- Molecular formula
- C14H18BClO4
- Molecular weight
- 296.55
Names & synonyms
408492-29-5methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate3-Chloro-5-methoxycarbonyl-phenyl-boronic acid pinacol ester(3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid pinacol esterMFCD118464643-CHLORO-5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZOIC ACID METHYL ESTERSCHEMBL1437728SCHEMBL29624518OUPWIYDRPYRHNT-UHFFFAOYSA-NIRA49229AKOS024462439SB37091
Show more names
Benzoic acid, 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
Methyl 3-chloro-5-(hydroxy((3-hydroxy-2,3-dimethylbutan-2-yl)oxy)boryl)benzoateAS-42876DB-262222CS-0175350EN300-336134F389788Z20447725873-Chloro-5-methoxycarbonyl-phenyl-boronic acid picol ester
Database identifiers
- CAS
408492-29-5- PubChem CID
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
安徽合诺生物科技有限公司18455579438
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
苏州启航生物科技有限公司18151111370
湖南氩氡医药科技有限公司13764359345 · [email protected]
苏州市晨科生物科技有限公司18662408853 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
2 records
Compound notes
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