CAS 496807-97-7 3,3-Difluoropiperidine hydrochloride (HCID 2758349)

基本情報

CAS: 496807-97-7
標準SMILES: Cl.FC1(F)CCCNC1
InChIKey: LEHHIPIDKQVNEV-UHFFFAOYSA-N
分子式: C5H10ClF2N
平均分子量: 157.59 g/mol
単同位体質量: 157.0469833

名称と識別子

優先名称: 3,3-Difluoropiperidine hydrochloride
IUPAC: 3,3-difluoropiperidine;hydrochloride
現地名: 3,3-ジフルオロピペリジン塩酸塩
英語名: 3,3-Difluoropiperidine hydrochloride
分子式: C5H10ClF2N
分子量: 157.59

名称と別名

3,3-Difluoropiperidine hydrochloride496807-97-7DTXSID50374288RefChem:270290DTXCID30325319624-735-73,3-difluoropiperidine;hydrochlorideMFCD034528003,3-DIFLUOROPIPERIDINE HCLPiperidine, 3,3-difluoro-, hydrochloride3,3-difluoropiperidine-HCl3,3-difluoro-piperidine HCl

名称をさらに表示

3,3-ジフルオロピペリジン塩酸塩3,3-ジフルオロピペリジン塩酸塩uoropiperidine hydrochL3,3-difluoropiperidin-1-ium3,3-Difluoropiperidine hy...3,3-difluoropiperidineHCLSalt3-difluoropiperidine hydrochloride3,3-Difluoropiperidine hydrochlorideE3,3-Difluoropiperidine hydrochloride 97%3,3-Difluoropiperidine Hydrochloride(WX604285)

SCHEMBL2303713,3-difluoropiperidinehydrochlorideSBB0872323,3-difluoro-Piperidine hydrochlorideAKOS005146250CS-W001579LF-0528PB23351

データベース識別子

CAS: 496807-97-7
PubChem CID: 2758349
DTXSID: DTXSID50374288
EC Number: 624-735-7

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: 9
形式電荷: 0
複雑度: 82

物理化学的性質

融点: 243 · 243-247 °C
貯蔵温度: 2 · 2-8°C
外見: powder to crystal
色: White to Orange to Green
InChI: InChI=1S/C5H9F2N.ClH/c6-5(7)2-1-3-8-4-5;/h8H,1-4H2;1H
InChIKey: LEHHIPIDKQVNEV-UHFFFAOYSA-N
SMILES: FC1(CNCCC1)F.Cl
CAS データベース: 496807 · 496807-97-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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.