2-chloroacetaldehyde

• ChemBase ID: 89486
• Molecular Formular: C2H3ClO
• Molecular Mass: 78.49762
• Monoisotopic Mass: 77.9872424
• SMILES: O=CCCl
• Canonical SMILES: ClCC=O
• InChI: InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
• InChIKey: QSKPIOLLBIHNAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloroacetaldehyde
• IUPAC Traditional name: chloroacetaldehyde
• Synonyms: CHLORO ACETALDEHYDE, 45% IN WATER; 2-Chloroethanal; Chloroacetaldehyde 45% w/w; Chloroacetaldehyde solution; CLACH; 氯乙醛 溶液

Database IDs

• CAS Number: 107-20-0
• EC Number: 203-472-8
• MDL Number: MFCD00006992
• Beilstein Number: 1071226
• PubChem SID: 24846858; 162076366; 24859068; 24853642
• PubChem CID: 33

CALCULATED PROPERTIES

• Acid pKa: 11.839859
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.15538165
• LogD (pH = 7.4): 0.1553661
• Log P: 0.15538184
• Molar Refractivity: 16.4715 cm^3
• Polarizability: 6.4189663 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -28 to -23°C
• Boiling Point: 80-100 °C(lit.); 80-100°C
• Flash Point: 143.6 °F; 62 °C; 62°C
• Density: 1.19 g/ml; 1.214; 1.217 g/mL at 20 °C; 1.236 g/mL at 25 °C
• Refractive Index: 1.4060; n20/D 1.4036; n20/D 1.407

Safety Information

• Storage Warning: Very Toxic/Corrosive/Carcinogenic/Air Sensitive/Store under Argon
• RTECS: AB2450000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2232
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 24/25-26-35-40-50; R:24/25-26-34-40-50
• Safety Statements: 26-28-36/37/39-45-61; S:26-28-45-61-36/37/39
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311-H314-H335-H351-H400; H301-H311-H314-H330-H335-H351-H400
• GHS Precautionary statements: P260-P273-P280-P284-P301 + P310-P305 + P351 + P338; P261-P273-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2232 6.1/PG 1

Product Information

• Concentration: ~50 wt. % in H2O; ~55% in H2O (T); ≥45.0% in H2O (density determination)
• Grade: produced by Wacker; technical
• Linear Formula: ClCH2CHO

DETAILS

MP Biomedicals - 05221284

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 317276

Packaging
1 L in glass bottle
5, 250 mL in glass bottle

Sigma Aldrich - 10907

Other Notes
prices for bulk quantities on request
Packaging
1 kg in glass bottle