3,3-ジフルオロアゼチジン塩酸塩

3,3-Difluoroazetidine hydrochloride

HCID 2758247CAS 288315-03-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.FC1(F)CNC1
InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYSA-N
分子式: C3H6ClF2N
平均分子量: 129.53 g/mol
単同位体質量: 129.01568331

名称と識別子

優先名称: 3,3-Difluoroazetidine hydrochloride
IUPAC: 3,3-difluoroazetidine;hydrochloride
現地名: 3,3-ジフルオロアゼチジン塩酸塩
英語名: 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE
分子式: C3H6ClF2N
分子量: 129.53

名称と別名

3,3-Difluoroazetidine hydrochloride288315-03-7DTXSID00374238RefChem:270276DTXCID40325269621-190-73,3-DIFLUOROAZETIDINE HCL3,3-difluoroazetidine;hydrochlorideMFCD05663714Azetidine, 3,3-difluoro-, hydrochloride (1:1)3,3-DIFLUOROAZETIDINEHYDROCHLORIDE3,3-difluoroazetidine hydrochloric acid salt

名称をさらに表示

3,3-ジフルオロアゼチジン塩酸塩3,3-ジフルオロアゼチジン塩酸塩3,3-difluoroazetidine3,3-Difluoroazetidine, HC3,3-Difluoroazetidine hyd...3,3-Difluorazetidin hydrochlorid3,3-Difluoroaztidine hydrochloride3,3-Difluorazetidinhydrochlorid(1:1)3,3-Difluoroazetidine hydrochloride 97%3,3-difluoro-Azetidine hydrochloride (1:1)

3,3-difluoro azetidine hydrochloride3,3-Difluoroazetidine (hydrochloride)AKOS005063365CS-W0012143,3-difluoroazetidine hydrochloric acidTS-017013,3-difluoroazetidine hydrogen chloride saltAzetidine, 3,3-difluoro-, hydrochloride

データベース識別子

CAS: 288315-03-7
PubChem CID: 2758247
DTXSID: DTXSID00374238
EC Number: 621-190-7

物性

構造計算による物性

極性表面積: 12 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 55.8

物理化学的性質

融点: 138 · 138-143 °C
貯蔵温度: 2 · 2-8°C
溶解性: DMSO（微量）、水（微量）
外見: 個体
色: オフホワイトからライトイエロー
InChI: InChI=1S/C3H5F2N.ClH/c4-3(5)1-6-2-3;/h6H,1-2H2;1H
InChIKey: CDBAEFXTCRKJPZ-UHFFFAOYSA-N
SMILES: FC1(CNC1)F.Cl
CAS データベース: 288315 · 288315-03-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.