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2-Chloro-n-(2,2,2-trichloro-1-hydroxyethyl)acetamide

HCID 237755
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Basic information

CAS
2755-35-3
Standard SMILES
O=C(CCl)NC(O)C(Cl)(Cl)Cl
InChIKey
YDCXJAACEIUSDW-UHFFFAOYSA-N
Molecular formula
C4H5Cl4NO2
Average molar mass
240.9 g/mol
Monoisotopic mass
238.907439

Names & identifiers

Preferred name
2-Chloro-n-(2,2,2-trichloro-1-hydroxyethyl)acetamide
IUPAC
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide
English name
2-chloro-N-(2,2,2-trichloro-1-hydroxy-ethyl)acetamide
Molecular formula
C4H5Cl4NO2
Molecular weight
240.9

Names & synonyms

2-chloro-n-(2,2,2-trichloro-1-hydroxyethyl)acetamide2755-35-32-CHLORO-N-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)ACETAMIDEChloral chloroacetamideAcetamide,2,2-trichloro-1-hydroxyethyl)-N-1-Hydroxy-2,2-trichloroethylmonochloroacetamideN-(.alpha.-Hydroxy-.beta.,.beta.-trichloroethyl)chloroacetamideNCIOpen2_002940SCHEMBL11552184DTXSID10285366YDCXJAACEIUSDW-UHFFFAOYSA-NNSC41555
Show more names
HOEN-1-Hydroxy-2,2,2-trichloroethylmonochloroacetamideAcetamide, 2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)-N-(.alpha.-Hydroxy-.beta.,.beta.,.beta.-trichloroethyl)chloroacetamide
NSC65134NSC-41555NSC-65134AKOS000521661AKOS016042828ST502162341,1,1-trichloro-2-hydroxy-2-(chloroacetamido)ethaneZ57088494

Database identifiers

CAS
2755-35-3
PubChem CID
237755
DTXSID
DTXSID10285366
EC Number
688-610-9
Nikkaji
J7.907C

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
146

Physicochemical properties

Melting point
145 °C · 145 °C
Boiling point
352.1 · 352.1±42.0 °C(Predicted)
Density
1.673 · 1.673±0.06 g/cm3(Predicted)
pka
10.36 · 10.36±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Related reactions

2 records
New reaction record
HRID 614864 reaction equation
HRID 614864As reactantuspto-grants-1979_03
HRID 1542947 reaction equation
HRID 1542947As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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