CAS 53112-28-0 Pyrimethanil (HCID 91650)

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Basic information

CAS: 53112-28-0
Standard SMILES: Cc1cc(C)nc(Nc2ccccc2)n1
InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
Molecular formula: C12H13N3
Average molar mass: 199.257 g/mol
Monoisotopic mass: 199.11094742

Names & identifiers

Preferred name: Pyrimethanil
IUPAC: 4,6-Dimethyl-N-phenylpyrimidin-2-amine
English name: Pyrimethanil
Molecular formula: C12H13N3
Molecular weight: 199.25

Names & synonyms

PyrimethaniMythoSCALAMYTHOSPenbotecHsdb 6916DynmethanilPYRIMETHANILPyrimethanil 080%Pyrimethanil

Database identifiers

CAS: 53112-28-0
PubChem CID: 91650
DTXSID: DTXSID8034877
ChEMBL: CHEMBL540677
ChEBI: CHEBI:8674
UNII: 6IA5HP6C8Z
EC Number: 414-220-3、610-963-4
Nikkaji: J682.443I

Properties

Physicochemical properties

Melting point: 96 °C · 96°C
Boiling point: 362.8 · 362.8±45.0 °C(Predicted)
Density: 1.15 · 1.15
vapor pressure: 2.2 x · 2.2 x l0-5 Pa (25 °C)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: 130 mg/mL · DMSO: 130 mg/mL (652.45 mM)
pka: 3.52 · 3.52
form: Solid
color: White to off-white
Water Solubility: 0.121 g/L · 0.121 g/L (25 ºC)
BRN: 151589 · 151589
Henry's Law Constant: 3.4 · 3.4×102 mol/(m3Pa) at 25℃, Feigenbrugel and Calvé (2021)
Major Application: agricultureenvironmental
InChI: InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
SMILES: C1(NC2=CC=CC=C2)=NC(C)=CC(C)=N1
CAS DataBase Reference: 53112 · 53112-28-0(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 6 IA5HP6C8Z · 6IA5HP6C8Z
Pesticides Freedom of Information Act (FOIA): Pyrimethanil
EPA Substance Registry System: Pyrimethanil (53112-28-0)
UNSPSC Code: 41116107 · 41116107
NACRES

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 2
ridadr: UN 3077
hs_code: 2933599590
Toxicity: LD50 (mg/kg): 4061-5358 orally in mice; 4150-5971 orally in rats; >5000 dermally in rats; LC50 (96 hr) in mirror carp, rainbow trout (mg/l): 35.36, 10.56 (Neumann)
risk_code: 51/53
Signal word: Warning
Symbol(GHS): GHS09
hazard_code: N
safety_code: 60
Storage Class: 11 - Combustible Solids
Hazard statements: H411
REACH Registrations: Inactive
Hazard Classifications: Aquatic Chronic 2
Precautionary statements: P273
Hazardous Substances Data: 53112-28-0(Hazardous Substances Data)

Chemistry & industry

Applications · 3 items

UsesPyrimethanil provides both protective and curative control of fungal diseases in pome fruits (leaf scab caused by Venturiu inaequalis), vines, fruits, vegetables and ornamentals (grey mould)

UsesPyrimethanil is a broad spectrum anilino-pyrimidine foliar fungicide. Pyrimethanil functions by inhibiting the biosynthesis of methionine in Botrytis cinerea.

General DescriptionPyrimethanil is an anilino-pyrimidine, broad spectrum fungicide primarily used for the control of gray mould and leaf scab on fruits, vegetables and ornamentals. Its mode of action involves inhibition of the secretion of hydrolytic enzymes by the fungi during the infection process, thus stopping the further development of the disease.