Mepanipyrim (HCID 86296)

Überblick

Mepanipyrim can cause cancer according to The Environmental Protection Agency (EPA).

Namen und Bezeichner

Bevorzugter Name: Mepanipyrim
IUPAC: 4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
Englischer Name: MEPANIPYRIM
Summenformel: C14H13N3
Molmasse: 223.27

Namen und Synonyme

Mepanipyrim110235-47-74-Methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamineDTXSID4042121B150X76OJYN-(4-methyl-6-prop-1-ynylpyrimidin-2-yl)aniline4-methyl-N-phenyl-6-prop-1-ynyl-pyrimidin-2-amineCHEBI:6751DTXCID2022121KIF-3535KUF-6201RefChem:156502

Weitere Namen anzeigen

MepanioyrimmepanipyrinMepanipyrim 50Mepanipyrim-D5MEPANIPYRIM STANDARDMepanipyrim in AcetonitrileMepanipyrim@100 μg/mL in AcCN

600-951-7Mepanipyrim [ISO]4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine4-methyl-N-phenyl-6-(prop-1-yn-1-yl)pyrimidin-2-amine2-Pyrimidinamine, 4-methyl-N-phenyl-6-(1-propynyl)-2-Anilino-4-methyl-6-(1-propynyl)pyrimidineFRUPICA4-methyl-N-phenyl-6-(prop-1-ynyl)pyrimidin-2-amine

Datenbank-Bezeichner

CAS: 110235-47-7
PubChem CID: 86296
DTXSID: DTXSID4042121
ChEMBL: CHEMBL2269513
ChEBI: CHEBI:6751
UNII: B150X76OJY
EC Number: 432-140-7、600-951-7
Nikkaji: J583.868A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 37,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 295

Experimentelle und physikochemische Eigenschaften

Pesticides · 4 Einträge

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

Fungicides

Pesticide (Mepanipyrim) -> USDA PDB

LogP3.42

Ionization Efficiency · 6 Einträge

Positive

3.87

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 4 Einträge

147.3 Å² [M]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4042121]

152.07 Å² [M+H]+ [CCS Type: TW]

153.05 Å² [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

152.76 Å² [M+H]+

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125-126° (Maeno); also reported as 132.8° (Hayashi)
Siedepunkt: 418.2 · 418.2±47.0 °C(Predicted)
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
Dampfdruck: 2.32 x · 2.32 x l0-5 Pa (20 °C)
Flammpunkt: 131 °C · 131 °C
storage temp.: 0 · 0-6°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 4.5 · 4.5 (est. base)
Wasserlöslichkeit: 3.1 mg · 3.1 mg l-1(20 °C)
Farbe: White to Off-White
Henry's Law Constant: 6 · 6.0×102 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Major Application: agricultureenvironmental
InChI: 1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
InChIKey: CIFWZNRJIBNXRE-UHFFFAOYSA-N
SMILES: CC#Cc1cc(C)nc(Nc2ccccc2)n1
LogP: 3.28 · 3.280
EPA chemische Informationen: Mepanipyrim (110235-47-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 4 Einträge

Hazard Traits - Carcinogenicity

Commission Regulation No 844/2012

2004/62/EC, Reg. (EU) 2016/2016, Reg. (EU) 2018/524, Reg. (EU) 2019/168, Reg. (EU) 2020/421, Reg. (EU) 2021/566, Reg. (EU) 2022/378, Reg. (EU) 2023/689, Reg. (EU) 2024/1217, Reg. (EU) No 540/2011

REACH registered substance: Mepanipyrim (EC: 432-140-7)

Hazard Classes and Categories · 4 Einträge

Carc. 2 (100%)

Carcinogenicity - category 2

Carc. 2

Sicherheitsdaten

wgk: 2
ridadr: UN3077 9/PG 3
RTECS-Nr.: UV6261540
risk_code: 51/53-50/53-40
Toxizität: LD50 in mice, rats, bobwhite, mallard (mg/kg): >5000, >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally; LC50 in bluegill, rainbow trout (mg/l): 3.8, 3.1 (Maeno)
hazard_code: N,Xn
safety_code: 60-61-46-36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Carc. 2

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFungicides

Anwendungen

VerwendenMepanipyrim is an anilinopyrimidine fungicide which have been used in the management of fungal diseases in strawberries.

Anbieter42 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying additional methyl and 1-propynyl substituents at positions 4 and 6 respectively. A fungicide used to control a wide range of diseases including grey mou d on strawberries, tomatoes and cucumabers, and scab on apples and pears.