HCID59365496

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

methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate

C10H10FN3O2223.2 g/molCAS 918321-20-7

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IDENTITY

结构与身份

标准 SMILES: COC(=O)c1cc2c(ncn2C)c(F)c1N
InChIKey: LDEVURKKVDBRLD-UHFFFAOYSA-N
分子式: C10H10FN3O2
平均分子量: 223.2 g/mol
单同位素质量: 223.07570473

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 70.1 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 289

GHS

GHS 分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

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

Hazard Classes and Categories

Acute 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%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

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

ALIASES

名称与别名

共 23 条

918321-20-7RefChem:816863methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate806-782-7methyl 5-amino-4-fluoro-1-methyl-1H-1,3-benzodiazole-6-carboxylateMethyl 5-amino-4-fluoro-1-methyl-1H-benzo[d]imidazole-6-carboxylateMFCD26127252methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylateMethyl 6-amino-7-fluoro-3-methyl-3H-benzo[d]imidazole-5-carboxylate6-amino-7-fluoro-3-methyl-3h-benzoimidazole-5-carboxylic acid methyl esterSCHEMBL2524267LDEVURKKVDBRLD-UHFFFAOYSA-NAKOS026675660SS-4695AC-30137SY126337DB-230784CS-0127593F31233F519602

REACTIONS