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55715-03-2

55715-03-2 Structure

55715-03-2 Structure
IdentificationMore
[Name]

4-Bromomethyl-3-nitrobenzoic acid
[CAS]

55715-03-2
[Synonyms]

3-NITRO-4-BROMOMETHYLBENZOIC ACID
4-(BROMOETHYL)-3-NITROBENZOIC ACID
4-(BROMOMETHYL)-3-NITROBENZOIC ACID
4-CARBOXY-2-NITROBENZYLBROMID
TIMTEC-BB SBB003091
4-(BROMOMETHYL)-3-NITROBENZOIC ACID 97%
[EINECS(EC#)]

205-516-1
[Molecular Formula]

C8H6BrNO4
[MDL Number]

MFCD00216575
[Molecular Weight]

260.04
[MOL File]

55715-03-2.mol
Chemical PropertiesBack Directory
[Appearance]

pale yellow to pink crystalline powder
[Melting point ]

127-130 °C (lit.)
[Boiling point ]

392°C
[density ]

1.814
[refractive index ]

1.6500 (estimate)
[Fp ]

191°C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMF: soluble(lit.)
[form ]

solid
[pka]

3.42±0.10(Predicted)
[Water Solubility ]

Soluble in DMF and dichloromethane. Insoluble in water.
[BRN ]

1970939
[CAS DataBase Reference]

55715-03-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[F ]

19
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29163990
Hazard InformationBack Directory
[Chemical Properties]

pale yellow to pink crystalline powder
[Uses]

4-Bromomethyl-3-nitrobenzoic acid is used as a reactant in the synthesis of 4-bromomethyl-3-nitrobenzoic acid succinimide ester, 4-((2-(hydroxymethyl)phenyl amino)methyl)-3-nitrobenzoic acid, 4-(2-hydroxyethylmercaptylmethyl)-3-nitrobenzoic acid. It is also used as a thiol photo-deprotection reagent, a starting material in the synthesis of 2H-indazole based library using parallel solution-phase methods.
[Uses]

Photolabile Nbb handle employed in solid-phase peptide synthesis:
[General Description]

4-Bromomethyl-3-nitrobenzoic acid (BNBA) is a benzoic acid derivative. It has been synthesized by the nitration of 4-bromomethylbenzoic acid using fuming nitric acid. It participates in the synthesis of 3,4-dihydro-2(1H)-quinazolinones and 3,4-dihydro-1H-quinazolin-2-thiones.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromomethyl-3-nitrobenzoic acid(55715-03-2)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromomethyl-3-nitrobenzoic acid, 97%(55715-03-2)
[Alfa Aesar]

4-Bromomethyl-3-nitrobenzoic acid, 97%(55715-03-2)
[Sigma Aldrich]

55715-03-2(sigmaaldrich)
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