기본 정보
- CAS
13457-18-6- 표준 SMILES
CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C- InChIKey
JOOMJVFZQRQWKR-UHFFFAOYSA-N- 분자식
- C14H20N3O5PS
- 평균 분자량
- 373.37 g/mol
- 단동위원소 질량
- 373.08612892
개요
Pyrazophos is a member of the class of pyrazolopyrimidines that is the ethyl ester of 2-[(diethoxyphosphorothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid. A profungicide (by hydrolysis of the thionophosphate group to afford the corresponding 2-hydroxypyrazolopyrimidine fungicide), it is used to control Erysiphe, Helminthosporium and Rhynchospium in cereals. It has a role as a profungicide, an insecticide, a phospholipid biosynthesis inhibitor and an antifungal agrochemical. It is an ethyl ester, an organic thiophosphate and a pyrazolopyrimidine. It is functionally related to an ethyl 2-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
이름 및 식별자
- 우선 이름
- Pyrazophos
- IUPAC
- ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
- 현지명
- 피라조포스
- 영어명
- Pyrazophos
- 분자식
- C14H20N3O5PS
- 분자량
- 373.36
이름 및 동의어
PYRAZOPHOS13457-18-6CuramilAfuganDTXSID7042352BEG0A8I17DNSC-232671Ethyl 2-((diethoxyphosphinothioyl)oxy)-5-methylpyrazolo(1,5-a)pyrimidine-6-carboxylateHOE-2873DTXCID5022352CHEBI:81942O,O-Diethyl O-(5-methyl-6-(ethoxycarbonyl)-pyrazolo-(1,5-a)-pyrimid-2-yl)-thionophosphate
이름 더 보기
피라조포스파이라조포스hoe2873Siganexcarbonyl-AFUGAN(R)PYRAZOFOSHOE 02873
O-6-Ethoxycarbonyl-5-methylpyrazolo(1,5-a)pyrimidin-2-yl O,O-diethyl phosphorothioateEthyl 2-[(diethoxyphosphinothioyl)oxy]-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylateO-6-ethoxycarbonyl-5-methylpyrazolo[1,5-a]pyrimidin-2-yl O,O-diethyl phosphorothioateRefChem:177471236-656-1MissileHoechst 2873HOE 2873
데이터베이스 식별자
- CAS
13457-18-6- PubChem CID
- 26033
- DTXSID
DTXSID7042352
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 473
실험 및 물리화학적 성질
SpringerMaterials PropertiesFusion temperature
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Pyrazophos) -> USDA PDB
LogP3.8
Ionization Efficiency
Positive
2.94
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section192.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID7042352]
물리화학적 성질
- 녹는점
- 51 ℃ · 51℃
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 증기압
- 2.2 x · 2.2 x 10-4 Pa (50 °C)
- 저장 조건
- 4 °C · APPROX 4°C
- 산도 계수 (pKa)
- -1.37 · -1.37±0.40(Predicted)
- 수용성
- 4.2 mg · 4.2mg l-1(25°C)
- Merck
- 13 · 13,8052
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement)
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P273, P301+P316, P304+P340, P317, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
00/233/EC
Pyrazophos: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 2-[(diethoxyphosphinothioyl)oxy]-5-methyl-, ethyl ester: Human health tier I assessment
DOT Hazard Classification
Pyrazophos
Severe marine pollutant
Hazard Classes and Categories
Acute Tox. 3 (92.9%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 3
Acute Tox. 4 *
안전 데이터
- wgk
- 3
- rtecs
- TF2035000
- ridadr
- 2783
- 독성
- LD50 in rats, marmots, rabbits (mg/kg): 140, 184, 435 orally (Smit)
- risk_code
- 20/22-50/53
- hazard_code
- Xn,N
화학 및 산업
응용 분야
용도Pyrazophos is a systemic fungicide that provides both protective and curative control of various fungal diseases such as powdery mildew (Podosphaera) on apples, stone fruits, bush fruits and strawberries, Erysiphe in cucurbits and tomatoes, Uncinula on vines and leaf blotch (Rhynchosporium) in cereals.
공급사30 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Syntechem Co.,Ltd[email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
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