Acetamide, N-(2,6-dichlorophenyl)-
Basic information
- CAS
17700-54-8- Standard SMILES
CC(=O)Nc1c(Cl)cccc1Cl- InChIKey
DWVWVSLAIJHBBG-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NO
- Average molar mass
- 204.05 g/mol
- Monoisotopic mass
- 202.9904692
Names & identifiers
- Preferred name
- Acetamide, N-(2,6-dichlorophenyl)-
- IUPAC
- N-(2,6-dichlorophenyl)acetamide
- English name
- 2,6-DICHLOROACETANILIDE
- Molecular formula
- C8H7Cl2NO
- Molecular weight
- 204.05
Names & synonyms
N-(2,6-Dichlorophenyl)acetamide2,6-Dichloroacetanilide2',6'-DichloroacetanilideAcetamide, N-(2,6-dichlorophenyl)-EINECS 241-706-0NSC 158653BRN 2096165DTXSID301702400-12-00-00626 (Beilstein Handbook Reference)RefChem:108818DTXCID1092731Acetamide, N-(2,6-dichlorophenyl)-(9CI)
Show more names
2’,6’-dichloro-acetanilid2,6-Dichloro anilid acetanone2,6-Dichloroacetanilide, 98+%n-(2,6-dichlorophenyl)-acetamid
241-706-0DWVWVSLAIJHBBG-UHFFFAOYSA-N17700-54-8ACETANILIDE, 2',6'-DICHLORO-MFCD00013629AKOS 93896TIMTEC-BB SBB006286N-(2,6-Dichlorophenyl)acetamide; 2',6'-Dichloroacetanilide; N-Acetyl-2,6-dichloroaniline; NSC 158653; 2',6'-Dichloro-acetanilide;
Database identifiers
- CAS
17700-54-8- PubChem CID
- 28698
- DTXSID
DTXSID30170240- EC Number
- 241-706-0
- Nikkaji
- J29.482I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP1.32
Physicochemical properties
- Melting point
- 180 · 180-181°C
- Boiling point
- 343.4 · 343.4±32.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- storage temp.
- Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.26 · 13.26±0.70(Predicted)
- color
- White to Pale Grey
- BRN
- 2096165 · 2096165
- CAS DataBase Reference
- 17700 · 17700-54-8
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Safety Statements
- 22 · 22-24/25
- RTECS
- 1970000 · AE1970000
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
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 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- AE1970000
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2'',6''-Dichloroacetanilide can be used for pharmacological activity and biological study for dynamic method of determination of octanol-water partition coefficient of 2,4-dihydroxythiobenzanilides in QSAR studies.
Suppliers
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Related reactions
2 records
Compound notes
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