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Pyrithiobac sodium

Pyrithiobac sodium structure

CAS No:
123343-16-8
Formula:
C13H11ClN2O4S.Na
Chemical Name:
Pyrithiobac sodium
Synonyms:
Benzoic acid,2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-,sodium salt (1:1);Benzoic acid,2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-,sodium salt;KIH 2031;DPX-PE 350;Pyrithiobac sodium salt;Staple;Staple 85SP;Pyrithiobac sodium;Staple LX
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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Description

Pyrithiobac-sodium is an organic molecular entity.

Pyrithiobac sodium Basic Attributes

Molecular Weight：

348.74

Exact Mass：

347.994751

EC Number：

602-931-3

UNII：

5M13LUJ9WY

DSSTox ID：

DTXSID8032673

Characteristics

PSA：

110

XLogP3：

1.66190

Melting Point：

248 °C

Boiling Point：

546.4ºC at 760 mmHg

Flash Point：

234°C

Water Solubility：

705 g/L (pH7)

Storage Conditions：

0-6°C

Vapor Pressure：

8.97E-13mmHg at 25°C

Toxicity：

LD50 in male, female rats (mg/kg): 1000-3000, 3000-5000 orally; LD50 in rats (mg/kg): >2000 dermally (Takahashi)

Safety Information

Precautionary statement(s)：

P201, P202, P260, P264, P273, P280, P281, P305+P351+P338, P308+P313, P314, P337+P313, P391, P405, P501

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (26.92%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P201, P202, P260, P264, P273, P280, P281, P305+P351+P338, P308+P313, P314, P337+P313, P391, P405, and P501|Aggregated GHS information provided by 52 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Mobility：

14.13 L/kg

Drug Information

MeSH Entry Terms：

pyrithiobac sodium

Pyrithiobac sodium Use and Manufacturing

Herbicide.

Computed Properties

Molecular Weight:348.74
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:347.9947500
Monoisotopic Mass:347.9947500
Topological Polar Surface Area:110
Heavy Atom Count:22
Complexity:357
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes