2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Basic information
- CAS
1231892-37-7- Standard SMILES
Cc1c(C#N)cccc1B1OC(C)(C)C(C)(C)O1- InChIKey
IHKQPZXLCHYHGK-UHFFFAOYSA-N- Molecular formula
- C14H18BNO2
- Average molar mass
- 243.11 g/mol
- Monoisotopic mass
- 243.143059
Names & identifiers
- Preferred name
- 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- IUPAC
- 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- English name
- 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- Molecular formula
- C14H18BNO2
- Molecular weight
- 243.11
Names & synonyms
1231892-37-72-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileDTXSID80858627RefChem:263233DTXCID50809368894-670-93-Cyano-2-methylphenylboronic acid pinacol esterMFCD18383611Benzonitrile, 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL17698755AKOS022176192CS-15955
Show more names
185086
SY246673DB-150113CS-0078604D721382-Methylbenzonitrile-3-boronic acid pinacol esterEN300-12578012F608609(3-Cyano-2-methylphenyl)boronic Acid Pinacol Ester
Database identifiers
- CAS
1231892-37-7- PubChem CID
- 72183136
- DTXSID
DTXSID80858627- EC Number
- 894-670-9
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 359.8 · 359.8±35.0 °C(Predicted)
- Density
- 1.05 · 1.05±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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, P317, 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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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Related reactions
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Compound notes
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