156272

3,5-Dinitrobenzoyl chloride

≥96.5%

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

Properties

• vapor density: 7.6 (vs air)
• Quality Level: 100
• 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
• 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
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves