1-Pyrrolidinesulfonyl chloride

HCID 6483902CAS 1689-02-7

기본 정보

표준 SMILES: O=S(=O)(Cl)N1CCCC1
InChIKey: JRIQCVWTPGVBBH-UHFFFAOYSA-N
분자식: C4H8ClNO2S
평균 분자량: 169.63 g/mol
단동위원소 질량: 168.9964274

이름 및 식별자

우선 이름: 1-Pyrrolidinesulfonyl chloride
IUPAC: pyrrolidine-1-sulfonyl chloride
영어명: PYRROLIDINE-1-SULFONYL CHLORIDE
분자식: C4H8ClNO2S
분자량: 169.63

이름 및 동의어

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

이름 더 보기

pyrrolidine-1-sulfonyl chloride(SALTDATA: FREE)PYRROLIDINE-1-SULFONYL CHLORIDE ISO 9001：2015 REACH

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 177

물리화학적 성질

끓는 점: 65 · 65-75 °C(Press: 0.2 Torr)
밀도: 1.48 · 1.48±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -8.42 · -8.42±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.