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13331-27-6

Basic Information
CAS No.: 13331-27-6
Name: 3-Nitrophenylboronic acid
Article Data: 15
Molecular Structure:
Molecular Structure of 13331-27-6 (3-Nitrophenylboronic acid)
Formula: C6H6BNO4
Molecular Weight: 166.929
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;
Density: 1.4 g/cm3
Melting Point: 289-291 °C
Boiling Point: 363.3 °C at 760 mmHg
Flash Point: 173.5 °C
Solubility: soluble in hot water
Appearance: off-white powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39-36
PSA: 86.28000
LogP: -0.20220
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
ConditionsYield
With hydrogenchloride; polystyrene boronic acid In acetonitrile at 20℃; for 18h;88%

potassium 3-nitrophenyltrifluoroborate

13331-27-6

m-nitrobenzene boronic acid

Conditions
ConditionsYield
With water; silica gel at 20℃; for 24h; Inert atmosphere;86%
With water In tetrahydrofuran at 55℃; Kinetics; Reagent/catalyst;

5-(4-methoxyphenyl)-4,4-dimethyl-2-(3-nitrophenyl)[1,3,2]dioxaborolane

13331-27-6

m-nitrobenzene boronic acid

Conditions
ConditionsYield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In dichloromethane; water at 50℃; for 24h;65%
13675-18-8

tetrahydroxydiboron

99-09-2

3-nitro-aniline

13331-27-6

m-nitrobenzene boronic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
In N,N-dimethyl-formamide at 20℃; for 0.25h;38%
98-80-6

phenylboronic acid

A

13331-27-6

m-nitrobenzene boronic acid

B

5570-19-4

2-nitrophenylboronic acid

Conditions
ConditionsYield
With nitric acid; urea
With sulfuric acid; nitric acid

C6H4LiNO2

13331-27-6

m-nitrobenzene boronic acid

Conditions
ConditionsYield
With Trimethyl borate; hydrogen cation
585-79-5

3-Bromonitrobenzene

13331-27-6

m-nitrobenzene boronic acid

Conditions
ConditionsYield
With n-butyllithium; Triisopropyl borate In tetrahydrofuran; hexane; toluene at -70 - -20℃;13 % Chromat.

C6H4BF3NO2(1-)

13331-27-6

m-nitrobenzene boronic acid

Conditions
ConditionsYield
In phosphate buffer pH=6.9 - 7.0; Kinetics;
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Chemistry

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.

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,

Safety Profile

Hazard Codes: IrritantXi  
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