N-(4-Bromo-3-chloro-2-methylphenyl)acetamide

HCID 86376CAS 125328-80-5

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Basic information

Standard SMILES: CC(=O)Nc1ccc(Br)c(Cl)c1C
InChIKey: KKYLGFXKQCOIOC-UHFFFAOYSA-N
Molecular formula: C9H9BrClNO
Average molar mass: 262.53 g/mol
Monoisotopic mass: 260.95560369

Names & identifiers

Preferred name: N-(4-Bromo-3-chloro-2-methylphenyl)acetamide
IUPAC: N-(4-bromo-3-chloro-2-methylphenyl)acetamide
English name: N-(4-BROMO-3-CHLORO-2-METHYL-PHENYL) ACETAMIDE
Molecular formula: C9H9BrClNO
Molecular weight: 262.53

Names & synonyms

125328-80-5N-(4-bromo-3-chloro-2-methylphenyl)acetamideAcetamide, N-(4-bromo-3-chloro-2-methylphenyl)-DTXSID00154739RefChem:1091245DTXCID9077230603-055-4N-Acetyl-4-bromo-3-chloro-2-methylaniline4'-Bromo-3'-chloro-2'-methylacetanilideMFCD08059123N-(4-bromo-3-chloro-2-methyl-phenyl)-acetamide6-Acetam

Show more names

4-bromo-3-chloro-2-methylphenylacetamide2-methyl-3-chloro-4-bromoethylacylbenzeneamine

6-ACETAMIDO-3-BROMO-2-CHLORO-TOLUENEN-(4-bromo-3-chloro-2-methyl-phenyl)acetamideSCHEMBL2429572AKOS015837962LS-13598SY024575CS-0007912NS00024027

Database identifiers

CAS: 125328-80-5
PubChem CID: 86376
DTXSID: DTXSID00154739
EC Number: 603-055-4
Nikkaji: J1.596.726I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 368.5 · 368.5±42.0 °C(Predicted)
Density: 1.572 · 1.572±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.58 · 13.58±0.70(Predicted)
Appearance: White to off-white Solid
HS Code: 2924297099 · 2924297099

Safety & regulation

Safety data

hs_code: 2924297099

Chemistry & industry

Applications

UsesN-(4-Bromo-3-chloro-2-methylphenyl)acetamide is a reagent used in the synthesis of indoxyl-glycosides which are used for monitoring glycosidase activities.