피리티오박-나트륨

Pyrithiobac sodium

HCID 23682187

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 123343-16-8
표준 SMILES: COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1.[Na+]
InChIKey: CNILNQMBAHKMFS-UHFFFAOYSA-M
분자식: C13H10ClN2NaO4S
평균 분자량: 348.74 g/mol
단동위원소 질량: 347.99475

개요

Pyrithiobac-sodium is an organic molecular entity.

이름 및 식별자

우선 이름: Pyrithiobac sodium
IUPAC: sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate
현지명: 피리티오박-나트륨
영어명: Pyrithiobac-sodium
분자식: C13H11ClN2O4S.Na
분자량: 349.75

이름 및 동의어

Pyrithiobac-sodiumPyrithiobac sodium123343-16-8StaplePyrithiobac sodium saltDTXSID80326735M13LUJ9WYDPX-PE350STAPLE-85SPsodium 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoateDTXCID6012673Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate

이름 더 보기

피리티오박-나트륨KIH 2031staple plusPyrithiobac soPyrithiobac-sodiuPyrimidinylthioether50%Pyrithiobac-sodium40%Pyrithiobac-sodium

KIH-2031Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodium saltsodium 2-chloro-6-((4,6-dimethoxypyrimidin-2-yl)sulfanyl)benzoateRefChem:870969Pyrithiobac-sodium [ISO]PyrithiobacsodiumMFCD041126202-chloro-6-{(4,6-dimethoxy-2-pyrimidinyl)thio}benzoic acid sodium salt

데이터베이스 식별자

CAS: 123343-16-8
PubChem CID: 23682187
DTXSID: DTXSID8032673
ChEMBL: CHEMBL3186632
ChEBI: CHEBI:81973
UNII: 5M13LUJ9WY
EC Number: 602-931-3
Nikkaji: J659.906K

물성

구조 계산 물성

극성 표면적: 110 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 357

실험 및 물리화학적 성질

Pesticides · 2건

Herbicides

Active substance -> EU Pesticides database: Pending

물리화학적 성질

녹는점: 233 · 233-234°C
인화점: 234 °C · 234°C
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 알칼리성 용액(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
색상: 노란색에서 진한 노란색까지
수용성: 705 g/L · 705g/L(pH7)
안정성: 흡습성
InChI: InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1
InChIKey: CNILNQMBAHKMFS-UHFFFAOYSA-M
SMILES: C1(SC2=CC=CC(Cl)=C2C(=O)[O-])N=C(OC)C=C(OC)N=1.[Na+]
EPA: Pyrithiobac-sodium (123343-16-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (26.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P203, P260, P264+P265, P273, P280, P305+P351+P338, P318, P319, P337+P317, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPyrithiobac-sodium is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Hazard Classes and CategoriesEye Irrit. 2 (26.4%)

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

RAIS Toxicity Values · 4건

0.58699999999999997

OPP

0.00105

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Pyrithiobac-sodium

0.587

3470

General Population

0.00105

28.2-2820

안전 데이터

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

화학 및 산업

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.

응용 분야 · 2건

개요Pyrithiobac-sodium is a post-emergence herbicide for the control of broad-leaved weeds in cotton and other crops. It has a high aqueous solubility, is non-volatile and, based on its chemical properties, it is very mobile and has high potential to leach to groundwater. It is generally moderately persistent in soil systems but tends to be non-persistent in aquatic systems. It has a low mammalian toxicity but may bioaccumulate.

용도Herbicide.