3-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
Basic information
- CAS
1036991-35-1- Standard SMILES
CC1(C)OB(c2cc(N)cc(C#N)c2)OC1(C)C- InChIKey
NDKHXHLIKQVEPM-UHFFFAOYSA-N- Molecular formula
- C13H17BN2O2
- Average molar mass
- 244.1 g/mol
- Monoisotopic mass
- 244.138308
Names & identifiers
- Preferred name
- 3-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- IUPAC
- 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- English name
- 3-Amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- Molecular formula
- C13H17BN2O2
- Molecular weight
- 244.1
Names & synonyms
1036991-35-13-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileRefChem:497336988-512-93-Amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileMFCD224943843-Amino-5-cyanophenylboronic acid pinacol esterSCHEMBL3323420SCHEMBL30345343AT16609CS-31671CS-0177398
Show more names
EN300-6763789(3-Amino-5-cyanophenyl)boronic Acid Pinacol EsterF577933Benzonitrile, 3-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
Database identifiers
- CAS
1036991-35-1- PubChem CID
- 68595697
- EC Number
- 988-512-9
Properties
Computed structural properties
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-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-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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