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Pyridate

Pyridate structure

CAS No:
55512-33-9
Formula:
C19H23ClN2O2S
Chemical Name:
Pyridate
Synonyms:
Carbonothioic acid,O-(6-chloro-3-phenyl-4-pyridazinyl) S-octyl ester;CL 11344;Fenpyrate;Lentagran;Pyridate;Pl 3419;O-(3-Phenyl-6-chloropyridazin-4-yl) octylthiocarbonate;Tough;Lentagran WP;Pyridate 600EC;Dacaote
Categories:
Agrochemicals > Herbicides

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Description

Pyridate is a member of pyridazines.

Pyridate Basic Attributes

Molecular Weight：

378.92

Exact Mass：

378.92

EC Number：

259-686-7

UNII：

JQH131LU0A

DSSTox ID：

DTXSID2032639

Characteristics

PSA：

77.4

XLogP3：

6.84

Density：

1.2±0.1 g/cm3

Melting Point：

27 °C

Boiling Point：

220 °C

Flash Point：

100 °C

Refractive Index：

1.561

Water Solubility：

3.96e-06 M

Storage Conditions：

APPROX 4°C

Vapor Pressure：

9.75e-10 mmHg

Toxicity：

Oral-Rat LD50: 1970 mg/kg; Oral-Mouse LD50: 10000 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxides, chlorides and sulfur oxides

Collision Cross Section：

199.9 Å² [M+H]+ [CCS Type: TW]

Safety Information

Transport codes：

UN 3077

wgk germany：

hazard class code：

38-43-50/53

safety instructions：

24-37-60-61

RTECS Number：

FG3880000

Marks：

Xi,N

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Precautionary statement(s)：

P273-P280-P501

Hazard Statements：

H315-H317-H410

GHS Classification：

|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501|H302 (69.77%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P321, P330, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 129 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P312, P321, P330, P332+P313, P333+P313, P362, P363, and P501

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

O-(6-chloro-3-phenyl-4-pyridazinyl)carbonothioic acid S-octyl ester

Pyridate Use and Manufacturing

Methods of Manufacturing

Using benzene as the solvent, in the presence of triethylamine, 6-chloro-3-phenylpyridazin-4-ol and S-octyl thiocarbonyl chloride are prepared.

Uses

Herbicide.

Use Classification：

Agrochemicals -> Herbicides|Herbicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Pyridate has known environmental transformation products that include 1-octanethiol, 1-octanol, Caprylic acid, Pyridafol (CL-9673), Pyridafol-O-methyl (CL-9869), and S-octylthiocarbonate.

Computed Properties

Molecular Weight:378.9
XLogP3:6.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:11
Exact Mass:378.1168768
Monoisotopic Mass:378.1168768
Topological Polar Surface Area:77.4
Heavy Atom Count:25
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Triethylamine