Basic information
- CAS
13601-94-0- Standard SMILES
NC(=O)C(Cl)(Cl)CCl- InChIKey
NAXPJDCDIPVXNE-UHFFFAOYSA-N- Molecular formula
- C3H4Cl3NO
- Average molar mass
- 176.42 g/mol
- Monoisotopic mass
- 174.935847
Names & identifiers
- Preferred name
- 2,2,3-Trichloropropionamide
- IUPAC
- 2,2,3-trichloropropanamide
Names & synonyms
2,2,3-TrichloropropionamidePropanamide, 2,2,3-trichloro-EINECS 237-084-52,2,3-trichloropropanamideAI3-03368NSC 84259RefChem:440654237-084-513601-94-0NSC84259SCHEMBL3503450DTXSID00929222
Show more names
2,2,3-Trichloropropanimidic acidNAXPJDCDIPVXNE-UHFFFAOYSA-NNSC-84259AKOS006346759DB-302033NS00052803
Database identifiers
- CAS
13601-94-0- PubChem CID
- 83608
- DTXSID
DTXSID00929222- EC Number
- 237-084-5
- Nikkaji
- J277.951J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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