2,2,2-Trichloro-n-methylacetamide

HCID 248652
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Basic information

CAS
23170-77-6
Standard SMILES
CNC(=O)C(Cl)(Cl)Cl
InChIKey
VRXFCUXLPCIOAE-UHFFFAOYSA-N
Molecular formula
C3H4Cl3NO
Average molar mass
176.42 g/mol
Monoisotopic mass
174.93584679

Names & identifiers

Preferred name
2,2,2-Trichloro-n-methylacetamide
IUPAC
2,2,2-trichloro-N-methylacetamide
English name
AcetaMide, 2,2,2-trichloro-N-Methyl-
Molecular formula
C3H4Cl3NO
Molecular weight
176.43

Names & synonyms

2,2,2-trichloro-n-methylacetamide23170-77-6Tadalafil Impurity 60NSC66034N-methyltrichloroacetamideN-methyltrichloro-acetamidetrichloro-N-methylacetamideSCHEMBL245714SCHEMBL4953691DTXSID40289993Methyl 2,2,2-trichloroacetamideVRXFCUXLPCIOAE-UHFFFAOYSA-N
Show more names
Tadalafil Impurity 71
NSC-66034AKOS000525874Acetamide, 2,2,2-trichloro-N-methyl-ST50217259Z56756204

Database identifiers

CAS
23170-77-6
PubChem CID
248652
DTXSID
DTXSID40289993
Nikkaji
J761.649J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
104.5 · 104.5-106 °C
Boiling point
253.1 · 253.1±40.0 °C(Predicted)
Density
1.492 · 1.492±0.06 g/cm3(Predicted)
pka
12.03 · 12.03±0.46(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers9 total

济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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