- 3-Nitrophenylboronic acid
- 3-Nitrophenylboronic acid pinacol ester
- 13331-31-2Hydrazinecarbodithioicacid, phenylmethyl ester
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Cas Database |
| Name |
3-Nitrophenylboronic acid |
EINECS | N/A |
| CAS No. | 13331-27-6 | Density | 1.4 g/cm3 |
| PSA | 86.28000 | LogP | -0.20220 |
| Solubility | soluble in hot water | Melting Point |
289-291 °C |
| Formula | C6H6BNO4 | Boiling Point | 363.3 °C at 760 mmHg |
| Molecular Weight | 166.929 | Flash Point | 173.5 °C |
| Transport Information | N/A | Appearance | off-white powder |
| Safety | 26-37/39-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzeneboronicacid, m-nitro- (6CI,7CI,8CI);Boronic acid, (3-nitrophenyl)- (9CI);3-Nitrobenzeneboronic acid;NSC 401539;NSC 59739;m-Nitrobenzeneboronic acid;m-Nitrophenylboronic acid; |
Article Data | 15 |
3-Nitrophenylboronic acid Synthetic route
- 68716-48-3
4,4,5,5-tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride; polystyrene boronic acid In acetonitrile at 20℃; for 18h; | 88% |
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| With water; silica gel at 20℃; for 24h; Inert atmosphere; | 86% |
| With water In tetrahydrofuran at 55℃; Kinetics; Reagent/catalyst; |
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 50℃; for 24h; | 65% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-nitro-aniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.25h; Stage #2: tetrahydroxydiboron With sodium acetate In water at 20℃; for 0.333333h; | 64% |
- 98-80-6
phenylboronic acid
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| nitration according to W. Seaman and J. R. Johnson, J. Am. Chem. Soc., 1931, 53, 711; | 47% |
| With nitric acid at -15 - -9℃; | 28% |
- 13675-18-8
tetrahydroxydiboron
- 586-36-7
3-nitrophenyldiazonium tetrafluoroborate
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 20℃; for 0.25h; | 38% |
| Conditions | Yield |
|---|---|
| With nitric acid; urea | |
| With sulfuric acid; nitric acid |
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| With Trimethyl borate; hydrogen cation |
- 585-79-5
3-Bromonitrobenzene
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| With n-butyllithium; Triisopropyl borate In tetrahydrofuran; hexane; toluene at -70 - -20℃; | 13 % Chromat. |
- 13331-27-6
m-nitrobenzene boronic acid
| Conditions | Yield |
|---|---|
| In phosphate buffer pH=6.9 - 7.0; Kinetics; |
3-Nitrophenylboronic acid Chemical Properties
IUPAC Name: (3-Nitrophenyl)boronic acid
Molecular Formula: C6H6BNO4
Molecular Weight: 166.94g/mol
Melting Point: 289-291 ºC
Freely Rotating Bonds: 4
Polar Surface Area: 64.28 Å2
Index of Refraction: 1.573
Molar Refractivity: 39.32 cm3
Molar Volume: 119.2 cm3
Polarizability: 15.58× 10-24cm3
Surface Tension: 57.8 dyne/cm
Density:1.4 g/cm3
Flash Point: 173.5 °C
Enthalpy of Vaporization: 64.29 kJ/mol
Boiling Point: 363.3 °C at 760 mmHg
Vapour Pressure: 6.5E-06 mmHg at 25°C
The Cas Register Number of 3-Nitrophenylboronic acid is 13331-27-6 .The chemical synonyms of 3-Nitrophenylboronic acid (CAS No.13331-27-6) are (3-Nitrophenyl)-boronicaci ; M-Nitro-benzeneboronicaci ; M-Nitrobenzeneboronicacid ; 3-Nitrophenylboric acid ; 3-Nitrophenylboronic acid ; 3-Nitrobenzeneboronic acid ; Akos brn-0128 ; M-Nitrophenylboronic acid .Product categories of 3-Nitrophenylboronic acid (CAS No.13331-27-6) are Blocks ; Boronicacids ; Boronic acid series ; Substituted boronic acids ; Organometallics ; Boronic acids ; Boronic acid ; Aryl ; Organoborons ; B (classes of boron compounds) .The molecular structure of 3-Nitrophenylboronic acid (CAS No.13331-27-6) is
.
3-Nitrophenylboronic acid Toxicity Data With Reference
| 1. | mouse LD50:180mg/kg | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01859, |
3-Nitrophenylboronic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: CY8980000
TSCA: T
HS Code: 29310095
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