HuagongsheHuagongshe Chemistry Print Report · For research reference only
Chloroacetaldehyde
2-Chloroacetaldehyde · CHLORACETALDEHYDE · 2-Chloroethanal · Chloroethanal · Chloroacetalaldehyde · Chloroacetaldehyde, 40 wt.% solution in water · CLACH · CH2ClCHO
Identifiers & Physical Properties
| CAS No. | 107-20-0 |
|---|---|
| Molecular formula | C2H3ClO |
| Average molar mass | 78.5 g/mol |
| Monoisotopic mass | 77.9872424 g/mol |
| SMILES | O=CCCl |
| InChIKey | QSKPIOLLBIHNAC-UHFFFAOYSA-N |
| PubChem CID | 33 |
| ChEMBL | CHEMBL506976 |
| ChEBI | CHEBI:27871 |
| EC No. | 203-472-8 |
| DTXSID | DTXSID4020292 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 4 |
| Formal charge | 0 |
| Complexity | 20 |
| LogP (partition coefficient) | 0.37 |
| Odor | Acrid, penetrating odor |
| Density | 1.19 at 77 °F (USCG, 1999) - Denser than waterwill sink1.19 g/cu cm at 25 °CRelative density (water = 1): 1.19 (40% solution)1.19 (40% solution)1.19 @25 °C1.236 g/mL at 25 °C |
| Color/Form | Colorless liquid [Note: Typically found as a 40% aqueous solution] |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992)Miscible in all proportions with waterSoluble in etherSoluble in acetone and methanolSolubility in water: miscibleSoluble in ether (Weast, 1986), acetone, and methanol (Hawley, 1981)soluble in acetone, methanol. Fully miscible in water. |
| Flash point | 190 °F (NTP, 1992)87 °C190 °F (87.7 °C) CLOSED CUP88 °C c.c.190 °F (40% solution)128 °F |
| Boiling point | 185 °F at 760 mmHg (NTP, 1992)85.5 °CPlatelets from waterbp: 85.5 °C with decomposition into water and chloraldehydemp 43-50 °Csoluble in water, alcohol, ether /Chloroacetaldehyde hemihydrate/85-100 °C (40% solution)186 °F85.5 °C @760 [mm Hg]80-100 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
| Melting point | 3 °F (USCG, 1999)-16.3 °C16 °C (40% solution)3 °F (40% solution)-28--23°C |
| Vapor density | 2.7 (40% aqueous solution) (NTP, 1992) - Heavier than airwill sink (Relative to Air)Relative vapor density (air = 1): 2.7 |
| Odor threshold | Odor threshold: 3.0 mg/cu m |
| Polymerization | Anhydrous substance polymerizes on standing but reverts to the monomer on distillation. |
| Vapor pressure | 100 at 20 °C (NIOSH, 1997) |
| Refractive index | n20/D 1.407 |
| Physical state | Colorless liquid |
| Sensitivity | Air Sensitive |
| Merck | 2109 |
| BRN | 1071226 |
| Henry's law constant | 1.9×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| Exposure limits | ACGIH:TLV-CEILING 1 ppm (3.2 mg/m3)OSHA:PEL-Ceiling 1 ppm (3 mg/m3)NIOSH:REL-Ceiling 1 ppm |
| InChI | 1S/C2H3ClO/c3-1-2-4/h2H,1H2 |
| InChIKey | QSKPIOLLBIHNAC-UHFFFAOYSA-N |
| SMILES | [H]C(=O)CCl |
| LogP (partition coefficient) | 0.62 at 25℃ and pH5.8 |
| CAS DataBase Reference | 107-20-0(CAS DataBase Reference) |
| EWG's Food Scores | 3 |
| FDA UNII | CF069F5D9C |
| NIST Chemistry Reference | Acetaldehyde, chloro-(107-20-0) |
| EPA Substance Registry System | Chloroacetaldehyde (107-20-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS06,GHS08,GHS09 |
| Signal word | Danger |
| GHS hazard statements | H301-H310+H330-H314-H335-H351-H400 |
| GHS precautionary statements | P202-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | T+,N |
| Risk statements (R) | 24/25-26-34-40-50-35 |
| Safety statements (S) | 26-28-36/37/39-45-61 |
| UN transport number | UN 2232 |
| Occupational exposure limit (OEL) | Ceiling: 1 ppm (3 mg/m3) |
| Water hazard class (WGK) | - |
| RTECS number | AB2450000 |
| TSCA inventory status | TSCA listed |
| Hazard class | 6.1Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Acute 1Carc. 2Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Packing group | I |
| Customs code | 29130000 |
| Storage class | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Hazardous substances data | 107-20-0(Hazardous Substances Data) |
| Toxicity | Acute oral LD50 for rats 75 mg/kg, mice 69 mg/kg (quoted, RTECS, 1985). |
| Immediately dangerous to life or health concentration | 45 ppm |
| REACH registrations | Active |
| Excepted quantities | Forbidden |
Safety & Regulations
| GHS classification | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]H311: Toxic in contact with skin [Danger Acute toxicity, dermal]H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H330: Fatal if inhaled [Danger Acute toxicity, inhalation]H351: Suspected of causing cancer [Warning Carcinogenicity]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P203, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatory information | Chemical: Acetaldehyde, chloro-Status: Active Update: 04-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/8143Acetaldehyde, chloro-: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Other safety information | IMAP assessments - Acetaldehyde, chloro-: Human health tier II assessmentIMAP assessments - Acetaldehyde, chloro-: Environment tier I assessment |
| DOT label | Poison Inhalation Hazard |
| Fire hazards | Special Hazards of Combustion Products: Contain poisonous and irritating chloride gases.Behavior in Fire: May yield highly toxic chloride fumes when heated to decomposition. (USCG, 1999)· Combustible material: may burn but does not ignite readily.· When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards.· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.· Corrosives in contact with metals may evolve flammable hydrogen gas. |
Applications & Uses
Description
oroacetaldehyde is a combustible, colorless liquid with a very sharp, irritating odor. Molecularweight=78.50; Specific gravity (H2O:1)=1.19 (40%solution); Boiling point=85 100℃; Freezing/Meltingpoint=16℃(40% solution); Vapor pressure 5100 mmHg at 20℃; Flash point=87.7℃(40%626 Chloroacetaldehydesolutions). Hazard Identification (based on NFPA 704 MRating System): Health 3, Flammability 2, Reactivity 0(able to polymerize on standing). Soluble in water.
Uses
In the manufacture of 2- aminothiazole; to facilitate bark removal from tree trunks; formed during the chlorination of drinking water; a metabolite of vinyl chloride
Uses
Chloroacetaldehyde is used in the productionof 2-aminothiazole.
General Description
A clear colorless liquid with a pungent odor. Flash point about 190°F. Corrosive to skin and mucous membranes. Chloroacetaldehyde is very toxic by inhalation.