1-methyl-1H-pyrazole-4-sulfonyl chloride

HCID 17024730

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 288148-34-5
표준 SMILES: Cn1cc(S(=O)(=O)Cl)cn1
InChIKey: RDAVKKQKMLINOH-UHFFFAOYSA-N
분자식: C4H5ClN2O2S
평균 분자량: 180.61 g/mol
단동위원소 질량: 179.9760263

이름 및 식별자

우선 이름: 1-methyl-1H-pyrazole-4-sulfonyl chloride
IUPAC: 1-methylpyrazole-4-sulfonyl chloride
영어명: 1H-Pyrazole-4-sulfonylchloride,1-methyl-(9CI)
분자식: C4H5ClN2O2S
분자량: 180.61

이름 및 동의어

1-methyl-1H-pyrazole-4-sulfonyl chloride288148-34-5DTXSID60588677RefChem:433899DTXCID00539441675-153-51-methylpyrazole-4-sulfonyl chloride1H-PYRAZOLE-4-SULFONYL CHLORIDE, 1-METHYL-MFCD04968667chloro(1-methylpyrazol-4-yl)sulfoneSCHEMBL425649RDAVKKQKMLINOH-UHFFFAOYSA-N

이름 더 보기

EOS-612901-methyl-(9CI)Relacorilant Impurity 21-methyl-4-pyrazolesulfonyl chloride1-Methyl-1H-pyrazol-4-sulfonyl chloride4-(Chlorosulphonyl)-1-methyl-1H-pyrazole1-Methyl-1H-pyrazole-4-sulphonyl chloride1-Methyl-1H-pyrazole-4-sulfonylchloride,97%

ALBB-012560SBB021604STK312805AKOS000302518CS-W007568PB123321-Methyl-1H-pyrazole-4-sulfonylchlorideDS-13556

데이터베이스 식별자

CAS: 288148-34-5
PubChem CID: 17024730
DTXSID: DTXSID60588677
EC Number: 675-153-5

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 60.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 210

물리화학적 성질

끓는 점: 295.7 · 295.7±13.0 °C(Predicted)
밀도: 1.6 · 1.60±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 결정질 고체
산도 계수 (pKa): -3.33 · -3.33±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C4H5ClN2O2S/c1-7-3-4(2-6-7)10(5,8)9/h2-3H,1H3
InChIKey: RDAVKKQKMLINOH-UHFFFAOYSA-N
SMILES: N1(C)C=C(S(Cl)(=O)=O)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (40%): 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 5 reports by companies from 3 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.