4-(ジフルオロメトキシ)ベンジルアルコール

4-(Difluoromethoxy)benzyl alcohol

HCID 2736996CAS 170924-50-2

部分構造検索類似構造を探す

基本情報

標準SMILES: OCc1ccc(OC(F)F)cc1
InChIKey: HSIDWXYUJAUALR-UHFFFAOYSA-N
分子式: C8H8F2O2
平均分子量: 174.14 g/mol
単同位体質量: 174.04923582

名称と識別子

優先名称: 4-(Difluoromethoxy)benzyl alcohol
IUPAC: [4-(difluoromethoxy)phenyl]methanol
現地名: 4-(ジフルオロメトキシ)ベンジルアルコール
英語名: 4-(Difluoromethoxy)benzyl alcohol
分子式: C8H8F2O2
分子量: 174.14

名称と別名

4-(Difluoromethoxy)benzyl alcohol170924-50-2DTXSID70371754RefChem:288839DTXCID30322787671-870-2[4-(difluoromethoxy)phenyl]methanol(4-(Difluoromethoxy)phenyl)methanol659-33-6Benzene, 1-(difluoromethoxy)-4-methoxy-MFCD002362284-difluoromethoxybenzyl alcohol

名称をさらに表示

4-(ジフルオロメトキシ)ベンジルアルコールRARECHEM AL BD 02794-(Difluoromethoxy)benzylalcohol98%4-(Difluoromethoxy)benzyl alcohol 98%

[4-(difluoromethoxy)phenyl]methan-1-olBenzenemethanol, 4-(difluoromethoxy)-4-difluorometho4-(Difluoromethoxy) Benzyl AlcoholSCHEMBL1780636SCHEMBL3282513YQF0974PJIYFBQQLZCVAC-UHFFFAOYSA-N

データベース識別子

CAS: 170924-50-2
PubChem CID: 2736996
DTXSID: DTXSID70371754
EC Number: 671-870-2

物性

構造計算による物性

XLogP: 2.1
極性表面積: 29.5 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: 3
重原子数: 12
形式電荷: 0
複雑度: 122

物理化学的性質

沸点: 78 · 78-80/0.2mm
比重(密度): 1.257 · 1.257±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 119.1 · 119.1±22.5℃
屈折率: 1.4855 · 1.4855
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 14.17 · 14.17±0.10(Predicted)

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 (100%): 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 6 reports by companies from 3 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2909498090
hazard_code: Xi
hazard_note: Irritant

化学と産業

サプライヤー40 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]