1-(Trifluoromethyl)cyclobutanol

HCID 57445156

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基本情報

CAS: 1098183-73-3
標準SMILES: OC1(C(F)(F)F)CCC1
InChIKey: LAVGIFVKTRAAKV-UHFFFAOYSA-N
分子式: C5H7F3O
平均分子量: 140.1 g/mol
単同位体質量: 140.04489933

名称と識別子

優先名称: 1-(Trifluoromethyl)cyclobutanol
IUPAC: 1-(trifluoromethyl)cyclobutan-1-ol
英語名: 1-(Trifluoromethyl)cyclobutan-1-ol
分子式: C5H7F3O
分子量: 140.1

名称と別名

1-(trifluoromethyl)cyclobutan-1-ol1098183-73-31-(Trifluoromethyl)cyclobutanolDTXSID201303873RefChem:428825DTXCID801733901820-024-2MFCD160679441-trifluoromethyl-cyclobutanolSCHEMBL601698SCHEMBL601699SCHEMBL16029985

名称をさらに表示

Cyclobutanol, 1-(trifluoromethyl)-1-(trifluoromethyl)cyclobutan-1-ol - [T81359]

AC2922AKOS010909220AB91373SY140690TS-01818EN300-104181F803020F8880-6073

データベース識別子

CAS: 1098183-73-3
PubChem CID: 57445156
DTXSID: DTXSID201303873
EC Number: 820-024-2

物性

構造計算による物性

XLogP: 1.4
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 114

物理化学的性質

沸点: 98.5 · 98.5±35.0 °C(Predicted)
比重(密度): 1.408 · 1.408±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 12.6 · 12.60±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.