ピロリジン-1-スルホニルクロリド

1-Pyrrolidinesulfonyl chloride

HCID 6483902

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1689-02-7
標準SMILES: O=S(=O)(Cl)N1CCCC1
InChIKey: JRIQCVWTPGVBBH-UHFFFAOYSA-N
分子式: C4H8ClNO2S
平均分子量: 169.63 g/mol
単同位体質量: 168.9964274

名称と識別子

優先名称: 1-Pyrrolidinesulfonyl chloride
IUPAC: pyrrolidine-1-sulfonyl chloride
現地名: ピロリジン-1-スルホニルクロリド
英語名: PYRROLIDINE-1-SULFONYL CHLORIDE
分子式: C4H8ClNO2S
分子量: 169.63

名称と別名

1-Pyrrolidinesulfonyl chlorideRefChem:436541696-398-4Pyrrolidine-1-sulfonyl chloride1689-02-71-PyrrolidinesulfonylchlorideMFCD07801104ALBB-005584chloropyrrolidinylsulfoneN-pyrrolidinesulfonyl chlorideSCHEMBL7450371-Pyrrolidine-sulfonyl chloride

名称をさらに表示

ピロリジン-1-スルホニルクロリドpyrrolidine-1-sulfonyl chloride(SALTDATA: FREE)PYRROLIDINE-1-SULFONYL CHLORIDE ISO 9001：2015 REACH

DTXSID90424357JRIQCVWTPGVBBH-UHFFFAOYSA-NSBB010507AKOS000263669BS-13035SY046713DB-013863CS-0215711

データベース識別子

CAS: 1689-02-7
PubChem CID: 6483902
DTXSID: DTXSID90424357
EC Number: 696-398-4

物性

構造計算による物性

XLogP: 0.8
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 177

物理化学的性質

沸点: 65 · 65-75 °C(Press: 0.2 Torr)
比重(密度): 1.48 · 1.48±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): -8.42 · -8.42±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (50%): 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)

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.