methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate (HCID 59365496)

Names & identifiers

Preferred name: methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate
IUPAC: methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate
English name: Methyl 5-aMino-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylate
Molecular formula: C10H10FN3O2
Molecular weight: 223.2

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 289

Physicochemical properties

Boiling point: 389.9 · 389.9±52.0 °C(Predicted)
Density: 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)
form: powder
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
HS Code: 2922390090 · 2922390090
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)