methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate

HCID 59365496CAS 918321-20-7

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Grundinformationen

Standard-SMILES: COC(=O)c1cc2c(ncn2C)c(F)c1N
InChIKey: LDEVURKKVDBRLD-UHFFFAOYSA-N
Summenformel: C10H10FN3O2
Durchschnittliche Molmasse: 223,2 g/mol
Monoisotopische Masse: 223,07570473

Namen und Bezeichner

Bevorzugter Name: methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate
IUPAC: methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate
Englischer Name: Methyl 5-aMino-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylate
Summenformel: C10H10FN3O2
Molmasse: 223.2

Namen und Synonyme

918321-20-7methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylateRefChem:816863806-782-7methyl 5-amino-4-fluoro-1-methyl-1H-1,3-benzodiazole-6-carboxylateMethyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylateMFCD26127252C10H10FN3O2methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylateMethyl 6-amino-7-fluoro-3-methyl-3H-benzo[d]imidazole-5-carboxylateMethyl 5-Amino-4-fluoro-1-methylbenzimidazole-6-carboxylate6-amino-7-fluoro-3-methyl-3h-benzoimidazole-5-carboxylic acid methyl ester

Weitere Namen anzeigen

Triadimefon Impurity 2 (Triadimenol A)5-Amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate1H-Benzimidazole-6-carboxylic acid, 5-amino-4-fluoro-1-methy...Methyl 4,5-difluoro-1-methyl-1H-benzo [d]imidazole-6-carboxylate6-Amino-7-fluoro-3-methyl-benzimidazole-5-carboxylic acid methyl ester

SCHEMBL2524267LDEVURKKVDBRLD-UHFFFAOYSA-NAKOS026675660SS-4695AC-30137SY126337DB-230784CS-0127593

Datenbank-Bezeichner

CAS: 918321-20-7
PubChem CID: 59365496
EC Number: 806-782-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 70,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 289

Physikochemische Eigenschaften

Siedepunkt: 389.9 · 389.9±52.0 °C(Predicted)
Dichte: 1.45 · 1.45±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.57 · 3.57±0.10(Predicted)
Aggregatzustand: powder
Farbe: Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (50%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 19-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31832

Hazard Classes and CategoriesAcute Tox. 4 (75%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (25%)；Skin Sens. 1 (25%)；Eye Irrit. 2 (25%)；Acute Tox. 4 (50%)；STOT SE 3 (25%)；Aquatic Chronic 2 (50%)