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Cas Database |
| Name |
4-Carboxy-2-nitrophenylboronic acid |
EINECS | N/A |
| CAS No. | 85107-54-6 | Density | 1.62 g/cm3 |
| PSA | 123.58000 | LogP | -0.50400 |
| Solubility | N/A | Melting Point |
265-268ºC |
| Formula | C7H6 B N O6 | Boiling Point | 487.1 °C at 760 mmHg |
| Molecular Weight | 210.939 | Flash Point | 248.4 °C |
| Transport Information | N/A | Appearance | Off-white Cryst |
| Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Nitro-4-carboxybenzeneboronicacid; 4-(Dihydroxyboryl)-3-nitrobenzoic acid |
Article Data | 5 |
4-Carboxy-2-nitrophenylboronic acid Chemical Properties
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IUPAC Name: 4-Borono-3-nitrobenzoic acid
Canonical SMILES: B(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])(O)O
InChI: InChI=1S/C7H6BNO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,12-13H,(H,10,11)
InChIKey: APBXPKJLXBBPQJ-UHFFFAOYSA-N
Empirical Formula: C7H6BNO6
Molecular Weight: 210.9366
H-Bond Donor: 3
H-Bond Acceptor: 6
Product Categories: blocks; BoronicAcids; Carboxes; NitroCompounds; Boronic acid
Index of Refraction: 1.619
Molar Refractivity: 45.59 cm3
Molar Volume: 129.8 cm3
Surface Tension: 80.8 dyne/cm
Density: 1.62 g/cm3
Flash Point: 248.4 °C
Enthalpy of Vaporization: 79.3 kJ/mol
Boiling Point: 487.1 °C at 760 mmHg
Vapour Pressure: 2.66E-10 mmHg at 25 °C
Melting Point of 4-Carboxy-2-nitrophenylboronic acid (CAS NO.85107-54-6): 265-268 °C
4-Carboxy-2-nitrophenylboronic acid Safety Profile
Hazard Codes: 
Xi,
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Hazard Note: Irritant
HazardClass of 4-Carboxy-2-nitrophenylboronic acid (CAS NO.85107-54-6): IRRITANT
4-Carboxy-2-nitrophenylboronic acid Specification
4-Carboxy-2-nitrophenylboronic acid (CAS NO.85107-54-6), its Synonyms are 4-Borono-3-nitrobenzoic acid ; 4-Carboxy-2-nitrobenzeneboronic acid ; 4-Carboxy-2-nitrobenzeneboronic acid 97% ; Benzoic acid, 4-borono-3-nitro- . It is off-white cryst.
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