Basic information
- Standard SMILES
N=C(N)C(Cl)(Cl)Cl- InChIKey
FJKHRICFMSYVFL-UHFFFAOYSA-N- Molecular formula
- C2H3Cl3N2
- Average molar mass
- 161.41 g/mol
- Monoisotopic mass
- 159.93618114
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethanimidamide
- IUPAC
- 2,2,2-trichloroethanimidamide
- English name
- 2,2,2-Trichloroacetimidamide
- Molecular formula
- C2H3Cl3N2
- Molecular weight
- 161.42
Names & synonyms
2533-68-82,2,2-trichloroethanimidamideDTXSID90275341RefChem:242421DTXCID00226788trichloroethanimidamide2,2,2-TrichloroacetimidamidetrichloroacetamidineSCHEMBL3160778SCHEMBL5405452CHEMBL3302502FJKHRICFMSYVFL-UHFFFAOYSA-N
Show more names
2,2,2-trichloroacetamidineEthaniMidaMide, 2,2,2-trichloro-
AKOS006221854EN300-81700F2147-0990
Database identifiers
- CAS
2533-68-8- PubChem CID
- 35608
- DTXSID
DTXSID90275341- ChEMBL
CHEMBL3302502- Nikkaji
- J718.366F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83.4
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 176 · 176.0±40.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 6.45 · 6.45±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
20 records
Linked notes
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