Dichloroacetamide
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Basic information
- CAS
683-72-7- Standard SMILES
NC(=O)C(Cl)Cl- InChIKey
WCGGWVOVFQNRRS-UHFFFAOYSA-N- Molecular formula
- C2H3Cl2NO
- Average molar mass
- 127.95 g/mol
- Monoisotopic mass
- 126.9591691
Names & identifiers
- Preferred name
- Dichloroacetamide
- IUPAC
- 2,2-dichloroacetamide
- English name
- Dichloroacetamide
- Molecular formula
- C2H3Cl2NO
- Molecular weight
- 127.96
Names & synonyms
2,2-DichloroacetamideDichloroacetamide683-72-7Acetamide, 2,2-dichloro-ACETAMIDE, DICHLORO-DTXSID8021561NSC-402025DTXCID301561I202LTA03DRefChem:80985211-674-2EINECS 211-674-2
Show more names
dichloro-acetamid,-Dichloracetamide2,2-dichloro-acetamid2,2-Dichloroacetamide >2,2-Dichloroacetamide, 98+%
MFCD00008015AI3-601262,2'-Dichloroacetamide2,2-Dichloro-acetamideCHEMBL156653NSC402025AKOS005715852SY049540
Database identifiers
- CAS
683-72-7- PubChem CID
- 12694
- DTXSID
DTXSID8021561- ChEMBL
CHEMBL156653- UNII
- I202LTA03D
- EC Number
- 211-674-2
- Nikkaji
- J55.454E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 62.6
Experimental & physicochemical properties
SpringerMaterials PropertiesMoessbauer quadrupole effect
LogP0.19
Physicochemical properties
- Melting point
- 98 · 98-100 °C(lit.)
- Boiling point
- 233 · 233-234 °C745 mm Hg(lit.)
- Density
- 1.0875 · 1.0875 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- Flash point
- 233 · 233-234°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 71 g/l · 71g/l
- pka
- 13.29 · 13.29±0.50(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- soluble
- BRN
- 1743236 · 1743236
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Acetamide, 2,2-dichloro-
2,2-Dichloroacetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AB6475000
- hs_code
- 29241900
- risk_code
- 36/37/38-43-24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-37/39-45-36-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, 2,2-dichloro-: ACTIVE
Applications
Uses2,2-Dichloroacetamide was an aliphatic halogenated DBP precursor identified in drinking water treatment; a pollutant.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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