Pyracarbolid
Basic information
- CAS
24691-76-7- Standard SMILES
CC1=C(C(=O)Nc2ccccc2)CCCO1- InChIKey
YPCALTGLHFLNGA-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Overview
Pyracarbolid is an anilide and an anilide fungicide.
Names & identifiers
- Preferred name
- Pyracarbolid
- IUPAC
- 6-methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamide
- English name
- PYRACARBOLID
- Molecular formula
- C13H15NO2
- Molecular weight
- 217.26
Names & synonyms
PYRACARBOLIDSicarol24691-76-73,4-Dihydro-6-methyl-N-phenyl-2H-pyran-5-carboxamide3,4-Dihydro-6-methyl-2H-pyran-5-carboxanilideH294Q38GANDTXSID50179432HOE-13764RefChem:870398DTXCID801019232-methyl-5,6-dihydro-4h-pyran-3-carboxanilide246-419-4
Show more names
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PyracarbolidePyracarbolid [ISO]6-Methyl-N-phenyl-3,4-dihydro-2H-pyran-5-carboxamideHOE 6053HOE 13764 ofHOE 2989HOE 6052HOE 13764
Database identifiers
- CAS
24691-76-7- PubChem CID
- 32597
- DTXSID
DTXSID50179432- ChEBI
CHEBI:82057- UNII
- H294Q38GAN
- EC Number
- 246-419-4
- Nikkaji
- J20.037I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 110 · 110-111°
- Boiling point
- 357.82 °C · 357.82°C (rough estimate)
- Density
- 1.096 · 1.0960 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 14.41 · 14.41±0.70(Predicted)
- Water Solubility
- 0.6 g/L · 0.6g/L(40 ºC)
- Merck
- 13 · 13,8044
- BRN
- 1427914 · 1427914
- Major Application
- agricultureenvironmental
- InChI
- 1S/C13H15NO2/c1-10-9-11(7-8-16-10)13(15)14-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,14,15)
- InChIKey
- RVUAOAREEJAWAM-UHFFFAOYSA-N
- SMILES
- O=C(NC=1C=CC=CC1)C2=C(OCCC2)C
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
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- rtecs
- UP7985000
- hs_code
- 29329990
- risk_code
- 52/53
- safety_code
- 61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H412
- Hazard Classifications
- Aquatic Chronic 3
- Precautionary statements
- P273
Chemistry & industry
Applications
UsesAgricultural fungicide.
UsesPyracarbolid is a systemic fungicide for bean rust control.
Additional notes
DefinitionChEBI: Pyracarbolid is an anilide and an anilide fungicide.
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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