Chloranocryl

HCID 16560

Notes Reactions

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Basic information

CAS: 2164-09-2
Standard SMILES: C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIKey: VCBRBUKGTWLJOB-UHFFFAOYSA-N
Molecular formula: C10H9Cl2NO
Average molar mass: 230.09 g/mol
Monoisotopic mass: 229.00611927

Overview

Chloranocryl is an anilide.

Names & identifiers

Preferred name: Chloranocryl
IUPAC: N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
English name: CHLORANOCRYL
Molecular formula: C10H9Cl2NO
Molecular weight: 230.09

Names & synonyms

Chloranocryl2164-09-2DICRYLLicrylN-(3,4-Dichlorophenyl)methacrylamideNiagara 4556Chloranocryl [ISO]3',4'-Dichloro-2-methylacrylanilideCaswell No. 329DTXSID2020424N-(3,4-Dichlorophenyl)-2-methyl-2-propenamideAcrylanilide, 3',4'-dichloro-2-methyl-

Show more names

DCMAn4,556DMCA(R)fmc4556nia4556

FMC 4556NIA 45563',4'-Dichloro-2-methacrylanilideMethacrylic acid 3,4-dichloroanilideZ411Q69NZW2-Propenamide, N-(3,4-dichlorophenyl)-2-methyl-DICRYL [MI]N 4,556

Database identifiers

CAS: 2164-09-2
PubChem CID: 16560
DTXSID: DTXSID2020424
ChEMBL: CHEMBL3184602
ChEBI: CHEBI:82173
UNII: Z411Q69NZW
Nikkaji: J7.342C

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 242

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Collision Cross Section145.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2020424]

Physicochemical properties

Melting point: 124 · 124-126℃
Boiling point: 375.5 · 375.5±42.0 °C(Predicted)
Density: 1.319 · 1.319
refractive index: 1.55 · 1.5500 (estimate)
pka: 12.22 · 12.22±0.70(Predicted)
Water Solubility: 8 mg/L · 8mg/L(temperature not stated)
EWG's Food Scores: 1 · 1
FDA UNII: 411 Q69NZW · Z411Q69NZW
EPA Substance Registry System: Chloranocryl (2164-09-2)
Hazard Codes: Xn
Risk Statements: 22 · 22
RTECS: 4025000 · AS4025000
Toxicity: 50 orally · LD50 orally in rats: 3160 mg/kg (Bailey, White)

Safety & regulation

Safety data

rtecs: AS4025000
Toxicity: LD50 orally in rats: 3160 mg/kg (Bailey, White)
risk_code: 22
hazard_code: Xn

Chemistry & industry

Applications · 3 items

DescriptionChloranocryl is an obsolete contact herbicide. Little data is available regarding its environmenal fate, ecotoxicology or impact on human health.

UsesHerbicide.

UsesChloranocryl functions as a herbicide for agricultural purposes.