Pyridate
Basic information
- CAS
55512-33-9- Standard SMILES
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1-c1ccccc1- InChIKey
JTZCTMAVMHRNTR-UHFFFAOYSA-N- Molecular formula
- C19H23ClN2O2S
- Average molar mass
- 378.9 g/mol
- Monoisotopic mass
- 378.11687666
Overview
Pyridate is a member of pyridazines.
Names & identifiers
- Preferred name
- Pyridate
- IUPAC
- (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
- English name
- Pyridat
- Molecular formula
- C19H23ClN2O2S
- Molecular weight
- 378.92
Names & synonyms
Pyridate55512-33-9FenpyrateLentagranDTXSID2032639JQH131LU0AO-(6-Chloro-3-phenyl-4-pyridazinyl) S-octyl carbonothioateCL-11344CARBONOTHIOIC ACID, O-(6-CHLORO-3-PHENYL-4-PYRIDAZINYL) S-OCTYL ESTERDTXCID0012639RefChem:177554O-(6-chloro-3-phenyl-4-pyridazinyl)carbonothioic acid S-octyl ester
Show more names
PIRATEPridatep13419cl11344PI-3419TOUGH(R)Fendazin
259-686-7PyridatToughPyronCL 11344P1 3419Caswell No. 716APyridate [BSI:ISO]
Database identifiers
- CAS
55512-33-9- PubChem CID
- 41463
- DTXSID
DTXSID2032639- ChEMBL
CHEMBL3186929- ChEBI
CHEBI:81971- UNII
- JQH131LU0A
- EC Number
- 259-686-7
- Nikkaji
- J14.345F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Approved
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
Pesticide (Pyridate) -> USDA PDB
Ionization Efficiency
Positive
2.95
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section199.9 Ų [M+H]+ [CCS Type: TW]
Physicochemical properties
- Melting point
- 27 ° · 27°
- Boiling point
- 0.1 · bp0.1 220°
- Density
- 20 · d20 1.555
- refractive index
- 20 · nD20 1.568
- Flash point
- 100 °C · 100 °C
- storage temp.
- 2 · 2-8°C
- pka
- -0.84 · -0.84±0.10(Predicted)
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
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Warning
H302 (54.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Regulation (EC) No 396/2005 (amended)
Pyridate is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
01/21/EC, 2010/77/EU, Reg. (EU) 2015/1115, Reg. (EU) No 540/2011
Pyridate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (54.7%)
Skin irritation - category 2
Acute toxicity (Oral) - Category 4
Acute Tox. 4
Toxicology
RAIS Toxicity Values
0.2
OPP
0.11
OPP
EPA Human Health Benchmarks for Pesticides
Pyridate
0.2
1000
Children
0.11
650
Safety data
Chemistry & industry
Uses & manufacturing
Use Classification
Herbicides
Environmental transformation -> Pesticides (parent, predecessor)
Applications
UsesPyridat, which is a herbicide used in agriculture. Pyridat has been used to control annual broadleaved weeds in sweet corn, cauliflower, broccoli and leek.
UsesHerbicide.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Pyridate is a member of pyridazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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