4-Carboxy-3-nitrophenylboronic Acid (contains varying amounts of Anhydride)
Basic information
- CAS
80500-28-3- Standard SMILES
O=C(O)c1ccc(B(O)O)cc1[N+](=O)[O-]- InChIKey
APQGIZKNZHGXTG-UHFFFAOYSA-N- Molecular formula
- C7H6BNO6
- Average molar mass
- 210.94 g/mol
- Monoisotopic mass
- 211.0288171
Names & identifiers
- Preferred name
- 4-Carboxy-3-nitrophenylboronic Acid (contains varying amounts of Anhydride)
- IUPAC
- 4-borono-2-nitrobenzoic acid
- English name
- 4-(Dihydroxyboryl)-2-nitrobenzoic acid
- Molecular formula
- C7H6BNO6
- Molecular weight
- 210.94
Names & synonyms
4-Carboxy-3-nitrophenylboronic Acid (contains varying amounts of Anhydride)RefChem:520670833-800-04-borono-2-nitrobenzoic acid80500-28-33-NITRO-4-CARBOXYPHENYLBORONIC ACIDMFCD106966614-carboxy-3-nitrophenylboronic acid4-(DIHYDROXYBORYL)-2-NITROBENZOIC ACIDBenzoic acid, 4-borono-2-nitro-4-(DIHYDROXYBORYL)-2-NITROBENZOICACID4-(DIHYDROXYBORANYL)-2-NITROBENZOIC ACID
Show more names
ANICHEM-20084-Dihydroxyboryl-3-nitrobenzoic acid4-Carboxyphenyl-3-nitrophenylboronic acid4-(Dihydroxyboryl)-2-Nitrobenzoicacid(WX650023)
SCHEMBL1235389AKOS0159688584-borono-2-nitro-benzoic acidNSC3101414-borono-2-nitrobenzoicacidSCHEMBL29953928DTXSID603170204-Carboxy-3-nitrobenzeneboronic Acid
Database identifiers
- CAS
80500-28-3- PubChem CID
- 329047
- DTXSID
DTXSID60317020- EC Number
- 833-800-0
- Nikkaji
- J3.205.723C
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 220 °C · 220°C(lit.)
- Boiling point
- 475.5 · 475.5±55.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.08 · 2.08±0.25(Predicted)
- color
- White to Light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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