3-(클로로메틸)-1-메틸-1H-피라졸

3-(Chloromethyl)-1-methyl-1H-pyrazole

HCID 423923

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 84547-64-8
표준 SMILES: Cn1ccc(CCl)n1
InChIKey: DHOBZYGMEYEAEM-UHFFFAOYSA-N
분자식: C5H7ClN2
평균 분자량: 130.57 g/mol
단동위원소 질량: 130.0297759

이름 및 식별자

우선 이름: 3-(Chloromethyl)-1-methyl-1H-pyrazole
IUPAC: 3-(chloromethyl)-1-methylpyrazole
현지명: 3-(클로로메틸)-1-메틸-1H-피라졸
영어명: 3-(Chloromethyl)-1-methyl-1H-pyrazole
분자식: C5H7ClN2
분자량: 130.58

이름 및 동의어

3-(CHLOROMETHYL)-1-METHYL-1H-PYRAZOLE84547-64-8DTXSID90329797RefChem:92578DTXCID90280894638-901-13-(chloromethyl)-1-methylpyrazoleMFCD086902751H-pyrazole, 3-(chloromethyl)-1-methyl-, hydrochloride1H-Pyrazole, 3-(chloromethyl)-1-methyl-SCHEMBL17694273-chloromethyl-1-methylpyrazole

이름 더 보기

3-(클로로메틸)-1-메틸-1H-피라졸(ChloroMethyl)-1-Methyl-1H-pyrazole3-(Chloromethyl)-1-methyl-1H-pyrazole97%3-(Chloromethyl)-1-methyl-1h-pyrazole HCl3-(Chloromethyl)-1-methyl-1H-pyrazole 97%3-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride3-(Chloromethyl)-1-methyl-1H-pyrazole dihydrochloride

DHOBZYGMEYEAEM-UHFFFAOYSA-NALBB-022010SBB054941AKOS005169512SB15729AS-32876SY037769DB-076067

데이터베이스 식별자

CAS: 84547-64-8
PubChem CID: 423923
DTXSID: DTXSID90329797
EC Number: 638-901-1

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 76.8

물리화학적 성질

끓는 점: 146 · 146-148 °C
밀도: 1.2 · 1.2
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 1.31 · 1.31±0.10(Predicted)
색상: 투명하고 연한 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.