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80500-27-2

80500-27-2 Structure

80500-27-2 Structure
IdentificationMore
[Name]

4-Methyl-3-nitrophenylboronic acid
[CAS]

80500-27-2
[Synonyms]

3-NITRO-P-TOLYLBORONIC ACID
4-METHYL-3-NITROBENZENEBORONIC ACID
4-METHYL-3-NITROPHENYLBORONIC ACID
AKOS BRN-0124
RARECHEM AH PB 0107
4-Methyl-3-nitrophenylboronic acid~3-Nitro-p-tolylboronic acid
3-Nitro-4-methylphenylboronic acid
4-Methyl-3-Nitrophenylboronic
4-Methyl-3-nitrobenzeneboronic acid 98%
2-Nitrotoluene-4-boronic acid
3-NITRO-4-METHYLBENZENE BORONIC ACID
4-Methyl-3-nitrophenylboronic Acid (contains varying amounts of Anhydride)
[EINECS(EC#)]

672-692-8
[Molecular Formula]

C7H8BNO4
[MDL Number]

MFCD00191550
[Molecular Weight]

180.95
[MOL File]

80500-27-2.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

265-270 °C (lit.)
[Boiling point ]

356.7±52.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

soluble in Methanol,Acetone
[form ]

powder to crystal
[pka]

7.19±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[BRN ]

3279018
[InChI]

1S/C7H8BNO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4,10-11H,1H3
[InChIKey]

OASVXBRTNVFKFS-UHFFFAOYSA-N
[SMILES]

Cc1ccc(cc1[N+]([O-])=O)B(O)O
[CAS DataBase Reference]

80500-27-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29319090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

Reactant for:
  • Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation
  • Suzuki-Miyaura coupling reactions
  • Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes
[Uses]

Reactant for:• ;Preparation of inhibitors of lactate dehydrogenase against cancer cell proliferation1• ;Suzuki-Miyaura coupling reactions2,3• ;Preparation of imidazothiazoles as iodide efflux inhibitors in thyrocytes4
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methyl-3-nitrophenylboronic acid(80500-27-2)1HNMR
4-Methyl-3-nitrophenylboronic acid(80500-27-2)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Methyl-3-nitrobenzeneboronic acid, 98%(80500-27-2)
[Sigma Aldrich]

80500-27-2(sigmaaldrich)
[TCI AMERICA]

4-Methyl-3-nitrophenylboronic Acid  (contains varying amounts of Anhydride)(80500-27-2)
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