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

HCID 59365496CAS 918321-20-7

기본 정보

표준 SMILES: COC(=O)c1cc2c(ncn2C)c(F)c1N
InChIKey: LDEVURKKVDBRLD-UHFFFAOYSA-N
분자식: C10H10FN3O2
평균 분자량: 223.2 g/mol
단동위원소 질량: 223.07570473

이름 및 식별자

우선 이름: methyl 5-amino-4-fluoro-1-methyl-1H-benzimidazole-6-carboxylate
IUPAC: methyl 6-amino-7-fluoro-3-methylbenzimidazole-5-carboxylate
영어명: Methyl 5-aMino-4-fluoro-1-Methyl-1H-benzo[d]iMidazole-6-carboxylate
분자식: C10H10FN3O2
분자량: 223.2

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 70.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 289

물리화학적 성질

끓는 점: 389.9 · 389.9±52.0 °C(Predicted)
밀도: 1.45 · 1.45±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.57 · 3.57±0.10(Predicted)
물리적 상태: 가루
색상: 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)