423564

4-Bromomethyl-3-nitrobenzoic acid

97%

Manufacturer: Sigma Aldrich

CAS Number: 55715-03-2

Select a Size

Pack Size SKU Availability Price
5 G 423564-5-G In Stock ₹ 8,820.00

423564 - 5 G

₹ 8,820.00

In Stock

Quantity

1

Base Price: ₹ 8,820.00

GST (18%): ₹ 1,587.60

Total Price: ₹ 10,407.60

Quality Level

100

Assay

97%

form

solid

mp

127-130 °C (lit.)

solubility

DMF: soluble(lit.)dichloromethane: soluble(lit.)

SMILES string

OC(=O)c1ccc(CBr)c(c1)[N+]([O-])=O

InChI

1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)

InChI key

QMAHVAFURJBOFV-UHFFFAOYSA-N

Other Options

Image Product Name Manufacturer Price Range
50-176-2266
Sigma Aldrich Fine Chemicals Biosciences 4-Bromomethyl-3-nitrobenzoic acid 97% | 55715-03-2 | MFCD00216575 | 5G
Sigma Aldrich Fine Chemicals Biosciences ₹ 17,503.86

Description

  • 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.[1] It participates in the synthesis of 3,4-dihydro-2(1H)-quinazolinones and 3,4-dihydro-1H-quinazolin-2-thiones.[2]
  • Application: 4-Bromomethyl-3-nitrobenzoic acid may be used in the following studies:As a reactant in the synthesis of 4-bromomethyl-3-nitrobenzoic acid succinimide ester (BNBA-SE).[1]As a reactant in the synthesis of 4-(2-hydroxyethylmercaptylmethyl)-3-nitrobenzoic acid.[1]As a reactant in the synthesis of decyl 4-(bromomethyl)-3-nitrobenzoate.[3]As a reactant in the synthesis of 4-((2-(hydroxymethyl)phenylamino)methyl)-3-nitrobenzoic acid.[4]As a thiol photo-deprotection reagent.[1]As a UV-cleavable reagent to functionalize polyacrylamide acryl hydrate (PAAH).[5]As a photocleavable linker to form localized photoinversion of surface charges inside the colloidal crystal.[6]As a starting material in the synthesis of 2H-indazole based library using parallel solution-phase methods.[7]As a reactant in the synthesis of (N-allyloxycarbonyl)-5-aminopent-1-yl 4-bromomethyl-3-nitrobenzoate.[8]

SAFETY INFORMATION

Pictograms

GHS05

Signal Word

Danger

Hazard Statements

H314

Precautionary Statements

P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

Hazard Classifications

Skin Corr. 1B

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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97%...


Quality Level:
100

Assay:
97%

form:
solid

mp:
127-130 °C (lit.)

solubility:
DMF: soluble(lit.)dichloromethane: soluble(lit.)

SMILES string:
OC(=O)c1ccc(CBr)c(c1)[N+]([O-])=O

InChI:
1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)

InChI key:
QMAHVAFURJBOFV-UHFFFAOYSA-N

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Sigma Aldrich

42358

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__

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solubility:
water: soluble(lit.)

SMILES string:
CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC

InChI:
1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3

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HKUFIYBZNQSHQS-UHFFFAOYSA-N

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Sigma Aldrich

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Assay:
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mp:
__

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__

SMILES string:
[H]\C(I)=C(/[H])C(=O)OCC

InChI:
1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-

InChI key:
AELYFQSZXFFNGP-ARJAWSKDSA-N

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Sigma Aldrich

423726

95%...


Quality Level:
100

Assay:
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form:
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mp:
123-124 °C (lit.)

solubility:
__

SMILES string:
O=C1C[C@H](NC(=O)OCc2ccccc2)C(=O)O1

InChI:
1S/C12H11NO5/c14-10-6-9(11(15)18-10)13-12(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)/t9-/m0/s1

InChI key:
OZPYEGOBGWQOSZ-VIFPVBQESA-N