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CAS No.: | 85107-54-6 |
---|---|
Name: | 4-CARBOXY-2-NITROPHENYLBORONIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H6 B N O6 |
Molecular Weight: | 210.939 |
Synonyms: | 2-Nitro-4-carboxybenzeneboronicacid; 4-(Dihydroxyboryl)-3-nitrobenzoic acid |
Density: | 1.62 g/cm3 |
Melting Point: | 265-268ºC |
Boiling Point: | 487.1 °C at 760 mmHg |
Flash Point: | 248.4 °C |
Appearance: | Off-white Cryst |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 123.58000 |
LogP: | -0.50400 |
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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
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 (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.