5-(클로로메틸)-1,3-디메틸-1H-피라졸

5-(chloromethyl)-1,3-dimethyl-1H-pyrazole

HCID 4961270

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 852227-86-2
표준 SMILES: Cc1cc(CCl)n(C)n1
InChIKey: SGEZKPNUNBVVLB-UHFFFAOYSA-N
분자식: C6H9ClN2
평균 분자량: 144.6 g/mol
단동위원소 질량: 144.045426

이름 및 식별자

우선 이름: 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole
IUPAC: 5-(chloromethyl)-1,3-dimethylpyrazole
현지명: 5-(클로로메틸)-1,3-디메틸-1H-피라졸
영어명: 5-(Chloromethyl)-1,3-dimethyl-1H-pyrazole
분자식: C6H9ClN2
분자량: 144.6

이름 및 동의어

5-(chloromethyl)-1,3-dimethyl-1H-pyrazole852227-86-25-(chloromethyl)-1,3-dimethylpyrazoleMFCD073685021H-Pyrazole, 5-(chloromethyl)-1,3-dimethyl-5-Chloromethyl-1,3-dimethyl-1H-pyrazoleSCHEMBL343813DTXSID60406903BCP23450CJB22786SBB025118AKOS005168010

이름 더 보기

5-(클로로메틸)-1,3-디메틸-1H-피라졸5-(chloroMethyl)-13-diMethyl-1H-pyrazole5-(ChloroMethyl)-1,3-diMe...5-ChloroMethyl-1,4-diMethyl-1H-pyrazole5-Chloromethyl-1,3-dimethyl-1H-pyrazole ,97%5-(chloromethyl)-1,3-dimethyl-4,5-dihydro-1H-pyrazole

PB10408AS-34365SY041961CS-0006092EN300-943025-(CHLOROMETHYL)-1,3-DIMETHYL-PYRAZOLEF044388

데이터베이스 식별자

CAS: 852227-86-2
PubChem CID: 4961270
DTXSID: DTXSID60406903
EC Number: 807-507-3

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97

물리화학적 성질

끓는 점: 225.8 · 225.8±25.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.24 · 2.24±0.10(Predicted)

화학적 성질

White to brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, 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.