2,6-dichlorobenzaldehyde

• ChemBase ID: 69699
• Molecular Formular: C7H4Cl2O
• Molecular Mass: 175.01206
• Monoisotopic Mass: 173.96392011
• SMILES: C(=O)c1c(cccc1Cl)Cl
• Canonical SMILES: O=Cc1c(Cl)cccc1Cl
• InChI: InChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
• InChIKey: DMIYKWPEFRFTPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichlorobenzaldehyde
• IUPAC Traditional name: 2,6-dichlorobenzaldehyde
• Synonyms: o,o'-Dichlorobenzaldehyde; NSC 7193; 2,6-Dichlorobenzaldehyde; 2,6-Dichlorobenzaldehyde; 2,6-二氯苯甲醛

Database IDs

• CAS Number: 83-38-5
• EC Number: 201-472-2
• MDL Number: MFCD00003307
• Beilstein Number: 386477
• PubChem SID: 162035424; 24861786; 24893954
• PubChem CID: 6737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8938375
• LogD (pH = 7.4): 2.8938375
• Log P: 2.8938375
• Molar Refractivity: 42.2516 cm^3
• Polarizability: 16.045197 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-71°C; 69-71 °C; 69-71 °C(lit.); 69-73°C
• Boiling Point: 124°C; 124°C/10mm
• Flash Point: >100°C; 100 °C; 135°C(275°F); 212 °F

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN1759
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-27-28-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: ≥98.0% (T); ≥99.0% (T); 95+%; 98%; 99%
• Grade: purum; technical
• Linear Formula: Cl2C6H3CHO

DETAILS

MP Biomedicals - 05209077

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D56500

Packaging
25, 100 g in glass bottle

Toronto Research Chemicals - D431850

An intermediate in the synthesis of substituted (2,6-dichlorobenzylideneamino)guanidines and some hydrazone derivatives of C-cyanoformamidrazone. It showed antihypertensive activity.

REFERENCES

• Rietveld, E.C., et al.: Arch. Toxicol., 59, 228 (1986)