Prynachlor
Basic information
- CAS
21267-72-1- Standard SMILES
C#CC(C)N(C(=O)CCl)c1ccccc1- InChIKey
DGPBHERUGBOSFZ-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO
- Average molar mass
- 221.68 g/mol
- Monoisotopic mass
- 221.0607417
Names & identifiers
- Preferred name
- Prynachlor
- IUPAC
- N-but-3-yn-2-yl-2-chloro-N-phenylacetamide
- English name
- PRYNACHLOR
- Molecular formula
- C12H12ClNO
- Molecular weight
- 221.68
Names & synonyms
PrynachlorBasamaize21267-72-1ButisaneButisanChloretinPrynachloreBAS 2903HCaswell No. 714BBBAS 2900HBAS-290-H1N7ETM5RG0
Show more names
2903hbas2903hbas2900h2-chloro-n-(3-butynyl)-acetanilid
Acetanilide, 2-chloro-N-(3-butynyl)-Chloressigsaeure-N-isobutinylanilid2-Chloro-N-(1-methyl-2-propynyl)acetanilideEINECS 244-304-3N-Acetyl-N-3-butinyl-2-chloranilinAcetanilide, 2-chloro-N-(1-methyl-2-propynyl)-UNII-1N7ETM5RG0EPA Pesticide Chemical Code 314300
Database identifiers
- CAS
21267-72-1- PubChem CID
- 30559
- DTXSID
DTXSID7042350- UNII
- 1N7ETM5RG0
- EC Number
- 244-304-3
- Nikkaji
- J13.473B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 249 °C · 249°C (rough estimate)
- Density
- 1.1469 · 1.1469 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Sparingly)
- form
- Low-Melting Solid
- pka
- 0.01 · 0.01±0.50(Predicted)
- color
- White to Off-White
- FDA UNII
- 1 N7ETM5RG0 · 1N7ETM5RG0
- EPA Substance Registry System
- Prynachlor (21267-72-1)
- Toxicity
- 50 oral · LD50 oral in rat: 1170mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in rat: 1170mg/kg
Chemistry & industry
Applications
UsesPrynachlor is a chloroacetanilide herbicide used in agriculture.
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Related reactions
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Compound notes
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