107-20-0

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

OSHA PEL: CL 1 ppm
ACGIH TLV: CL 1 ppm
DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans
DOT Classification:  6.1; Label: Poison

For occupational chemical analysis use NIOSH: Chloroacetaldehyde S11.

The Chloroacetaldehyde, with the CAS registry number 107-20-0 and EINECS registry number 203-472-8, is also known as 2-chloro-1-ethanal. And the molecular formula of this chemical is C₂H₃ClO. It is a clear colorless liquid with a pungent odor, and belongs to the following product categories: Pharmaceutical Intermediates; Aldehydes; C1 to C6; Carbonyl Compounds; C1 to C6; Carbonyl Compounds.

The Chloroacetaldehyde is soluble in water, and forms an insoluble hemihydrate at greater than 50% concentration. It is highly electrophilic reagent and a potentially dangerous alkylating agent. What's more, it is often used in the organic synthesis and used as bactericide.

The physical properties of Chloroacetaldehyde are as following: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.4; (8)ACD/KOC (pH 7.4): 24.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.382; (14)Molar Refractivity: 16.35 cm³; (15)Molar Volume: 70.2 cm³; (16)Polarizability: 6.48×10^-24cm³; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 1.117 g/cm³; (19)Enthalpy of Vaporization: 32.54 kJ/mol; (20)Boiling Point: 85 °C at 760 mmHg; (21)Vapour Pressure: 70.6 mmHg at 25°C.

Systhesis of Chloroacetaldehyde: It can be prepared by the oxidation of aqueous vinyl chloride using chlorine:
ClCH=CH₂ + Cl₂ + H2O → ClCH₂CHO + 2HCl

You should be cautious while dealing with this chemical. It may cause burns. It is very toxic to aquatic organiscs, and toxic in contact with skin and if swallowed. What's more, there's limited evidence of a carcinogenic effect about it. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: C(C=O)Cl
(2)InChI: InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2
(3)InChIKey: QSKPIOLLBIHNAC-UHFFFAOYSA-N 

The toxicity data is as follows: