2-Chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamide

HCID 162007CAS 40164-69-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cccc(CC)c1N(CCl)C(=O)CCl
InChIKey
PDQMMZXYWKOZHY-UHFFFAOYSA-N
Molecular formula
C13H17Cl2NO
Average molar mass
274.18 g/mol
Monoisotopic mass
273.06871952

Names & identifiers

Preferred name
2-Chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamide
IUPAC
2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamide
English name
2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamide
Molecular formula
C13H17Cl2NO
Molecular weight
274.19

Names & synonyms

2-Chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)acetamideEINECS 254-817-4Acetamide, 2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)-UNII-5X92116L065X92116L06DTXSID80280062',6'-diethyl-N-(chloromethyl)-2-chloroacetanilideRefChem:86423DTXCID208006254-817-440164-69-0SCHEMBL9614029
Show more names
Acetamide, 2-chloro-N-(chloromethyl)-N-(2,6-d iethylphenyl)-
AKOS022172959NS00030731Q27262999

Database identifiers

CAS
40164-69-0
PubChem CID
162007
DTXSID
DTXSID8028006
UNII
5X92116L06
EC Number
254-817-4
Nikkaji
J332.374I

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
5
Heavy atoms
17

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point
410.2 · 410.2±45.0 °C(Predicted)
Density
1.194 · 1.194±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
1.02 · 1.02±0.50(Predicted)
FDA UNII
5 X92116L06 · 5X92116L06
EPA Substance Registry System
2 · Acetamide, 2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)- (40164-69-0)

Safety & regulation

Hazard information

Regulatory Information · 1 item

Acetamide, 2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetamide, 2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Acetamide, 2-chloro-N-(chloromethyl)-N-(2,6-diethylphenyl)-: ACTIVE

Suppliers3 total

杭州赛洛化工贸易有限公司—
杭州维华生物技术有限公司[email protected]
Zhejiang Holypharm Biotech Co., Ltd.[email protected]

Related reactions

2 records
New reaction record

Linked notes

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