Pyriftalid

HCID 9948894

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 135186-78-6
표준 SMILES: COc1cc(OC)nc(Sc2cccc3c2C(=O)OC3C)n1
InChIKey: RRKHIAYNPVQKEF-UHFFFAOYSA-N
분자식: C15H14N2O4S
평균 분자량: 318.3 g/mol
단동위원소 질량: 318.06742793

개요

Pyriftalid is a member of 2-benzofurans.

이름 및 식별자

우선 이름: Pyriftalid
IUPAC: 7-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-2-benzofuran-1-one
영어명: PYRIFTALID
분자식: C15H14N2O4S
분자량: 318.35

이름 및 동의어

Pyriftalid135186-78-64KJ568Y783CGA 279233DTXSID5057961RefChem:177742DTXCID9031729Pyriftalid [ISO]7-((4,6-Dimethoxypyrimidin-2-yl)thio)-3-methylisobenzofuran-1(3H)-oneGRAMINICIDEUNII-4KJ568Y7837-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-2-benzofuran-1-one

이름 더 보기

Cycloester oxalfenPyriftalid StandardPYRIFTALID, PESTANALC16656000 Pyriftalidpyriftalid (bsi, pa iso)Buspirone Impurity 24-d8Pyriftalid in Acetonitrile

Pyriftalid 100 |Ig/mL in AcetonitrilePyriftalid 100 microg/mL in Acetonitrile7-((4,6-Dimethoxypyrimidin-2-yl)thio)-3-methylisobenzo[b]furan-1(3H)-one7-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3H-isobenzofuran-1-one7-[(4,6-Dimethoxypyrimidin-2-yl)sulfanyl]-3-methyl-2-benzofuran-1(3H)-one1(3H)-ISOBENZOFURANONE, 7-((4,6-DIMETHOXY-2-PYRIMIDINYL)THIO)-3-METHYLSCHEMBL119075orb2695333

데이터베이스 식별자

CAS: 135186-78-6
PubChem CID: 9948894
DTXSID: DTXSID5057961
ChEBI: CHEBI:81779
UNII: 4KJ568Y783
EC Number: 603-904-9
Nikkaji: J1.498.299J

물성

구조 계산 물성

XLogP: 3
극성 표면적: 95.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 399

실험 및 물리화학적 성질

Pesticides · 2건

Herbicides

Active substance -> EU Pesticides database: Not approved

물리화학적 성질

끓는 점: 555.6 · 555.6±60.0 °C(Predicted)
밀도: 1.39 · 1.39±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
산도 계수 (pKa): -0.47 · -0.47±0.50(Predicted)
Henry's Law Constant: 2.5 · 2.5×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
주요 응용: 농업환경
InChI: 1S/C15H14N2O4S/c1-8-9-5-4-6-10(13(9)14(18)21-8)22-15-16-11(19-2)7-12(17-15)20-3/h4-8H,1-3H3
InChIKey: RRKHIAYNPVQKEF-UHFFFAOYSA-N
SMILES: COc1cc(OC)nc(Sc2cccc3C(C)OC(=O)c23)n1

화학적 성질

m.p.159~160℃

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

유해성 정보

Hazard Classes and Categories · 2건

STOT RE 2 (100%)

Hazardous to the aquatic environment (Long-term) - Category 2

안전 데이터

wgk: 2
HS 번호: 29349990
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Pyriftalid is a pesticide.

일반 설명Pyriftalid is a pyrimidinyloxybenzoic herbicide used for the control of grass weeds in rice. Its mode of action involves inhibiting the biosynthesis of amino acids in weeds.