(2,2-ジフルオロシクロプロピル)メタノール

(2,2-Difluorocyclopropyl)methanol

HCID 2761401

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 509072-57-5
標準SMILES: OCC1CC1(F)F
InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
分子式: C4H6F2O
平均分子量: 108.09 g/mol
単同位体質量: 108.03867125

名称と識別子

優先名称: (2,2-Difluorocyclopropyl)methanol
IUPAC: (2,2-difluorocyclopropyl)methanol
現地名: (2,2-ジフルオロシクロプロピル)メタノール
英語名: 2,2-DIFLUOROCYCLOPROPYLMETHANOL
分子式: C4H6F2O
分子量: 108.09

名称と別名

(2,2-difluorocyclopropyl)methanol509072-57-5DTXSID20375747RefChem:205360DTXCID80326775680-732-02,2-Difluorocyclopropylmethanol2,2-difluorocyclopropanemethanolMFCD06797748Cyclopropanemethanol, 2,2-difluoro-C4H6F2OSCHEMBL21904

名称をさらに表示

(2,2-ジフルオロシクロプロピル)メタノール2,2-ジフルオロシクロプロピルメタノールCAS:509072-57-5(2,2-Difluorocyclopropyl)2,2-Difluorocyclopropanemethan2,2-Difluorocyclopropylcarbinol2,2-Difluorocyclopropanemethanol,97%2,2-Difluorocyclopropanemethanol, 97%(2,2-Difluorocyclopropyl)-Methanol, 97+%

2,2-Difluorocyclopropyl methanol2,2-DiflSCHEMBL21903(2,2-difluorocyclopropyl)-methanol(2,2-difluoro-cyclopropyl)-methanolAKOS005254700CS-W000392PB42945

データベース識別子

CAS: 509072-57-5
PubChem CID: 2761401
DTXSID: DTXSID20375747
EC Number: 680-732-0

物性

構造計算による物性

XLogP: 0.6
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: 3
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 81.8

物理化学的性質

沸点: 129 °C · 129°C
比重(密度): 1.27 g/ml · 1.27g/ml
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 15.1 · 15.10±0.10(Predicted)
外見: liquid
色: Clear
InChI: InChI=1S/C4H6F2O/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKey: XOLSMTBBIZDHSG-UHFFFAOYSA-N
SMILES: C1(CO)CC1(F)F
CAS データベース: 509072 · 509072-57-5

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

ridadr: UN1987
hs_code: 2906190090
hazard_code: Xi
hazard_class: 3

化学と産業

応用分野 · 1 件

使用2,2-Difluorocyclopropanemethanol is used as an intermediate in the preparation of (2,2-difluorocyclopropyl)methylamine. It is also used as a reagent in the synthesis of pyrrolopyridine derivatives, which finds application as an antiviral agent.