156272

3,5-Dinitrobenzoyl chloride

≥96.5%, solid

• Synonym(s): DNBC, NSC 2697
• Linear Formula: (O₂N)₂C₆H₃COCl
• CAS Number: 99-33-2
• Molecular Weight: 230.56
• NACRES: NA.21
• PubChem Substance ID: 57647511
• UNSPSC Code: 12352100
• EC Number: 202-750-6
• MDL number: MFCD00007248
• Beilstein/REAXYS Number: 990249
• Assay: ≥96.5%
• Form: solid

Properties

• Product Name: 3,5-Dinitrobenzoyl chloride, ≥96.5%
• vapor density: 7.6 (vs air)
• assay: ≥96.5%
• form: solid
• bp: 196 °C/11 mmHg (lit.)
• mp: 68-69 °C (lit.)
• functional group: acyl chloride, nitro
• SMILES string: [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(Cl)=O
• InChI: 1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H
• InChI key: NNOHXABAQAGKRZ-UHFFFAOYSA-N

Description

General description

Crystals of 3,5-dinitrobenzoyl chloride (DNBC) belong to the orthorhombic crystal system and space group Pna2₁. It is widely used reagent for the detection of alcohols.

Application

3,5-Dinitrobenzoyl chloride may be used for the quantitative estimation of hydroxyl groups in pyridine. It may be used in the synthesis of following:

• 3,5-diamino-N-cyclopropylbenzamide
• 3,5-dinitro-N-cyclopropylbenzamide
• 4-(3,5-dinitrophenyl)-6-(dipropan-2-ylamino)-2H-1,3,5-thiadiazine-2-thione4

3,5-Dinitrobenzoyl chloride may also be used as derivatizing agent for the following:

• biogenic amines present in fermented foods, which can be determined using liquid chromatography method(LC)
• polyamines, present in biological fluids, which can be determined using high performance liquid chromatography(HPLC)

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Skin Corr. 1B
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges