[4-(Dimethylamino)-3-methylphenyl]boronic acid
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Basic information
- CAS
919496-59-6- Standard SMILES
Cc1cc(B(O)O)ccc1N(C)C- InChIKey
HCWIPDGKOJNTJY-UHFFFAOYSA-N- Molecular formula
- C9H14BNO2
- Average molar mass
- 179.03 g/mol
- Monoisotopic mass
- 179.1117589
Names & identifiers
- Preferred name
- [4-(Dimethylamino)-3-methylphenyl]boronic acid
- IUPAC
- [4-(dimethylamino)-3-methylphenyl]boronic acid
- English name
- 4-(N,N-Dimethylamino)-3-methylphenylboronic acid
- Molecular formula
- C9H14BNO2
- Molecular weight
- 179.02
Names & synonyms
919496-59-6(4-(Dimethylamino)-3-methylphenyl)boronic acid[4-(dimethylamino)-3-methylphenyl]boronic acidDTXSID40629633RefChem:208509DTXCID90580386970-549-7N,N,2-Trimethylaniline-4-boronic acid4-(N,N-DIMETHYLAMINO)-3-METHYLPHENYLBORONIC ACIDMFCD06657910SCHEMBL1744338AKOS004114126
Show more names
4-Borono-N,N,2-trimethylanilineBoronic acid, B-[4-(dimethylamino)-3-methylphenyl]-
4-(Dimethylamino)-3-methylbenzeneboronic acidSCHEMBL29954610AB257ULB49659AB25756BS-23688CS-0175827(4-(Dimethylamino)-3-methylphenyl)boronicacid
Database identifiers
- CAS
919496-59-6- PubChem CID
- 23005359
- DTXSID
DTXSID40629633- EC Number
- 970-549-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 338.8 · 338.8±52.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 8.83 · 8.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
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
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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