4,4-ジフルオロシクロヘキサンアミン塩酸塩

4,4-Difluorocyclohexan-1-amine hydrochloride

HCID 23150669

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 675112-70-6
標準SMILES: Cl.NC1CCC(F)(F)CC1
InChIKey: QYJPFTAKVBDDPD-UHFFFAOYSA-N
分子式: C6H12ClF2N
平均分子量: 171.61 g/mol
単同位体質量: 171.0626335

名称と識別子

優先名称: 4,4-Difluorocyclohexan-1-amine hydrochloride
IUPAC: 4,4-difluorocyclohexan-1-amine;hydrochloride
現地名: 4,4-ジフルオロシクロヘキサンアミン塩酸塩
英語名: 4,4-Difluorocyclohexylamine hydrochloride
分子式: C6H11F2N.ClH
分子量: 171.62

名称と別名

4,4-difluorocyclohexan-1-amine hydrochlorideRefChem:507305675-660-1675112-70-64,4-DIFLUOROCYCLOHEXYLAMINE HYDROCHLORIDE4,4-difluorocyclohexanamine hydrochloride4,4-difluoro-cyclohexylamine hydrochlorideMFCD062468814,4-difluorocyclohexan-1-amine;hydrochloride4,4-DIFLUOROCYCLOHEXANAMINE HCL4,4-Difluorocyclohexan-1-amine HClCyclohexanamine, 4,4-difluoro-, hydrochloride

名称をさらに表示

4,4-ジフルオロシクロヘキサンアミン塩酸塩4,4-ジフルオロシクロヘキシルアミン塩酸塩4,4-Difl4,4-Difluoro-cyclohexylamine4,4-Difluorocyclohexylamine HCl 98%4,4-DifluorocyclohexylaMine hydrochoride4,4-Difluorocyclohexylamine hydrochlorid(4,4-Difluorocyclohexyl)aMMoniuM Chloride

SCHEMBL3603184,4-difluoro-cyclohexylamine hclDTXSID80631033AB9079SBB0885524,4-difluorocyclohexylamine, chlorideAKOS0052544664,4-difluorocyclohexylammonium chloride

データベース識別子

CAS: 675112-70-6
PubChem CID: 23150669
DTXSID: DTXSID80631033
EC Number: 675-660-1

物性

構造計算による物性

極性表面積: 26 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: 10
形式電荷: 0
複雑度: 93.2

物理化学的性質

融点: 295 °C · 295°C
沸点: 45 · 45-47°C/12mm
貯蔵温度: Inert atmosphere,Room Temperature
外見: powder
色: Whte to off-white
InChI: InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H
InChIKey: QYJPFTAKVBDDPD-UHFFFAOYSA-N
SMILES: C1(N)CCC(F)(F)CC1.[H]Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.