CAS 56984-32-8 Ethyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate (HCID 2758821)

기본 정보

CAS: 56984-32-8
표준 SMILES: CCOC(=O)c1cnn(C)c1Cl
InChIKey: UOKDEVVNDSYMRY-UHFFFAOYSA-N
분자식: C7H9ClN2O2
평균 분자량: 188.61 g/mol
단동위원소 질량: 188.03525521

이름 및 식별자

우선 이름: Ethyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylate
IUPAC: ethyl 5-chloro-1-methylpyrazole-4-carboxylate
현지명: 에틸5-클로로-메틸피라졸-4-카르복실레이트
영어명: Ethyl 5-chloro-methyl pyrazole-4-carboxylate
분자식: C7H9ClN2O2
분자량: 188.61

이름 및 동의어

56984-32-8Ethyl 5-Chloro-1-methyl-1H-pyrazole-4-carboxylateDTXSID30374504RefChem:344309DTXCID10325534ethyl 5-chloro-1-methylpyrazole-4-carboxylateMFCD03265503Ethyl 5-chloro-methyl pyrazole-4-carboxylateSCHEMBL1406834ethyl 5-chloro-1-methyl-pyrazole-4-carboxylateDS-8687Ethyl5-Chloro-1-methyl-1H-pyrazole-4-carboxylate

이름 더 보기

에틸5-클로로-메틸피라졸-4-카르복실레이트Ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylateEthyl 5-chloropyrazole-4-carboxylateETHYL-5-CHLORO-1-METHYLPYRAZOLE-4-CARBOXYLATE

5-Chloro-1-methyl-1H-pyrazole-4-carboxylic acid ethyl esterethyl 5-chloro-1-met1H-Pyrazole-4-carboxylic acid, 5-chloro-1-methyl-, ethyl esterFT-0749553SBB090857AKOS006276088FD10516SY113207

데이터베이스 식별자

CAS: 56984-32-8
PubChem CID: 2758821
DTXSID: DTXSID30374504
EC Number: 672-813-4
Nikkaji: J433.644E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

끓는 점: 80 · 80-82 °C(Press: 0.2 Torr)
밀도: 1.31 · 1.31±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -1.13 · -1.13±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.