3,3-Difluoropyrrolidine hydrochloride

HCID 24903482

노트 반응

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기본 정보

CAS: 163457-23-6
표준 SMILES: Cl.FC1(F)CCNC1
InChIKey: YYVPZQADFREIFR-UHFFFAOYSA-N
분자식: C4H8ClF2N
평균 분자량: 143.56 g/mol
단동위원소 질량: 143.0313333

이름 및 식별자

우선 이름: 3,3-Difluoropyrrolidine hydrochloride
IUPAC: 3,3-difluoropyrrolidine;hydrochloride
영어명: 3,3-Difluoropyrrolidine hydrochloride
분자식: C4H7F2N.ClH
분자량: 143.56

이름 및 동의어

3,3-Difluoropyrrolidine hydrochlorideRefChem:485384626-850-8163457-23-63,3-Difluoropyrrolidine HClMFCD037889483,3-difluoropyrrolidine;hydrochloridePyrrolidine, 3,3-difluoro-, hydrochloride (1:1)3,3-difluoropyrrolidinehydrochloride3,3-difluoro-pyrrolidine hydrochloride3,3-difluoropyrrolidin-1-ium;chloride3,3-difluoropyrrolidine, chloride

이름 더 보기

GOSO-0053,3-DifLuoropyrroLidine hydrochL3,3-Difluoropyrrolidine h...1-Aza-3,3-difluorocyclopentane3,3-DifluoropyrrolidineHydrochloride>3,3-Difl uoropyrrol [dine hydrochloride

3,3-DIFLUORO-PYRROLIDINE HCLPYRROLIDINE, 3,3-DIFLUORO-, HYDROCHLORIDE3,3-difluoropyrolidine HClSCHEMBL324555orb2939280DTXSID006479393,3-difluoropyrrolidinium chloride3,3-difluoropyrrolidin hydrochloride

데이터베이스 식별자

CAS: 163457-23-6
PubChem CID: 24903482
DTXSID: DTXSID00647939
EC Number: 626-850-8

물성

구조 계산 물성

극성 표면적: 12 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 72

물리화학적 성질

녹는점: 128 · 128-130°C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C4H7F2N.ClH/c5-4(6)1-2-7-3-4;/h7H,1-3H2;1H
InChIKey: YYVPZQADFREIFR-UHFFFAOYSA-N
SMILES: N1CCC(F)(F)C1.[H]Cl

화학적 성질

Beige solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT, HYGROSCOPIC
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3,3-Difluoropyrrolidine hydrochloride can be used as a building block in the synthesis of: Triazole substituted prolyl difluoropyrrolidines as potential inhibitors of dipeptidyl peptidase-4. Dual leucine zipper kinase (DLK) inhibitors.It can be also used as a reactant in the preparation of cyclic and acyclic β-aminofluoroalkenes via allylic amination using the Pd catalyst.