4-Ethoxycarbonyl-2-nitrophenylboronic Acid (contains varying amounts of Anhydride)
Basic information
- CAS
5785-70-6- Standard SMILES
CCOC(=O)c1ccc(B(O)O)c([N+](=O)[O-])c1- InChIKey
GCDAYMSNTGTFDC-UHFFFAOYSA-N- Molecular formula
- C9H10BNO6
- Average molar mass
- 238.99 g/mol
- Monoisotopic mass
- 239.0601172
Names & identifiers
- Preferred name
- 4-Ethoxycarbonyl-2-nitrophenylboronic Acid (contains varying amounts of Anhydride)
- IUPAC
- (4-ethoxycarbonyl-2-nitrophenyl)boronic acid
- English name
- 4-Ethoxycarbonyl-2-nitrophenylboronic acid
- Molecular formula
- C9H10BNO6
- Molecular weight
- 238.99
Names & synonyms
4-Ethoxycarbonyl-2-nitrophenylboronic Acid (contains varying amounts of Anhydride)RefChem:522679690-782-54-Ethoxycarbonyl-2-nitrophenylboronic acid5785-70-6(4-ethoxycarbonyl-2-nitrophenyl)boronic acidMFCD02179460Benzoic acid, 4-borono-3-nitro-, 1-ethyl ester[4-(ethoxycarbonyl)-2-nitrophenyl]boronic acidDS-14361T72654(4-(ethoxycarbonyl)-2-nitrophenyl)boronic acid
Show more names
Ethyl 4-Borono-3-Nitrabenzoate4-ethoxycabonyl-2-nitrophenylboronic acid4-(Ethoxycarbonyl)-2-nitrobenzeneboronic acid4-Ethoxycarbonyl-2-nitrophenylboronic acid - [E2998]4-Ethoxycarbonyl-2-nitrobenzeneboronic acid(contains varying amounts of Anhydride)(4E)-5-(4-bromophenyl)-4-[hydroxy(phenyl)methylidene]-1-methylpyrrolidine-2,3-dione
EN300-73585514-Ethoxycarbonyl-2-nitrophenylboronicacidETHYL 4-BORONO-3-NITROBENZOATE(4-ethoxycarbonyl-2-nitro-phenyl)boronic Acid[4-(ethoxycarbonyl)-2-nCHEMBL91674SCHEMBL4004897SCHEMBL29952953
Database identifiers
- CAS
5785-70-6- PubChem CID
- 2773403
- DTXSID
DTXSID00378438- ChEMBL
CHEMBL91674- EC Number
- 690-782-5
- Nikkaji
- J2.040.764F
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 116 · 116-118℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to crystal
- color
- White to Light yellow
- CAS DataBase Reference
- 5785 · 5785-70-6(CAS DataBase Reference)
- Comptox DTXSID
- 378438 · DTXSID00378438
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2931900090 · 2931900090
- HazardClass
- IRRITANT
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-Ethoxycarbonyl-2-nitrophenylboronic acid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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