1H-피라졸-4-카르보닐클로라이드,1-메틸-(9CI)

1-methyl-1H-pyrazole-4-carbonyl chloride

HCID 3164931

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 79583-19-0
표준 SMILES: Cn1cc(C(=O)Cl)cn1
InChIKey: QLBBQLJPRXPVOS-UHFFFAOYSA-N
분자식: C5H5ClN2O
평균 분자량: 144.56 g/mol
단동위원소 질량: 144.0090405

이름 및 식별자

우선 이름: 1-methyl-1H-pyrazole-4-carbonyl chloride
IUPAC: 1-methylpyrazole-4-carbonyl chloride
현지명: 1H-피라졸-4-카르보닐클로라이드,1-메틸-(9CI)
영어명: 1H-Pyrazole-4-carbonyl chloride, 1-methyl- (9CI)
분자식: C5H5ClN2O
분자량: 144.56

이름 및 동의어

1-Methyl-1H-pyrazole-4-carbonyl chloride79583-19-0DTXSID70390389RefChem:231528DTXCID70341250690-649-11-methylpyrazole-4-carbonyl chlorideMFCD034214961H-Pyrazole-4-carbonyl chloride, 1-methyl-SCHEMBL3689701H-Pyrazole-4-carbonyl chloride, 1-methyl- (9CI)QLBBQLJPRXPVOS-UHFFFAOYSA-N

이름 더 보기

1H-피라졸-4-카르보닐클로라이드,1-메틸-(9CI)

ALBB-0091901-methyl-4-pyrazolecarbonyl chlorideSBB010302AKOS000550386AT160911-methyl-1H-pyrazole-4-formyl chloride1-Methyl-1H-pyrazole-4-carbonylchlorideLS-03013

데이터베이스 식별자

CAS: 79583-19-0
PubChem CID: 3164931
DTXSID: DTXSID70390389
EC Number: 690-649-1

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 128

물리화학적 성질

끓는 점: 226.6 · 226.6±13.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
산도 계수 (pKa): -0.68 · -0.68±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.