2,6-ジクロロ-4-フルオロフェノール

Phenol, 2,6-dichloro-4-fluoro-

HCID 94950CAS 392-71-2

部分構造検索類似構造を探す

基本情報

標準SMILES: Oc1c(Cl)cc(F)cc1Cl
InChIKey: BOJVIFKSTRCIRJ-UHFFFAOYSA-N
分子式: C6H3Cl2FO
平均分子量: 180.99 g/mol
単同位体質量: 179.9544983

名称と識別子

優先名称: Phenol, 2,6-dichloro-4-fluoro-
IUPAC: 2,6-dichloro-4-fluorophenol
現地名: 2,6-ジクロロ-4-フルオロフェノール
英語名: 2,6-Dichloro-4-fluorophenol
分子式: C6H3Cl2FO
分子量: 180.99

名称と別名

2,6-Dichloro-4-fluorophenol392-71-2Phenol, 2,6-dichloro-4-fluoro-DTXSID30192447BOJVIFKSTRCIRJ-UHFFFAOYSA-NSC 10257RefChem:172734DTXCID40114938609-626-4BOJVIFKSTRCIRJ-UHFFFAOYSA-NInChI=1/C6H3Cl2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10HMFCD00010675

名称をさらに表示

2,6-ジクロロ-4-フルオロフェノール2,6‐ジクロロ‐4‐フルオロフェノール2,6-ジクロロ-4-フルオロフェノール, 98%2,6-DICHLORO-4-FLUOR1-Bromo-2,3,4-trifluorobezene2,6-Dichloro-4-fluorophenol98%2,6-Dichloro-4-fluorophenol99%2,6-Dichloro-4-fluorophenol 99%2,6-DICHLORO-4-FLUOROPHENOL ISO 9001：2015 REACH

2,6-dichloro-4-fluoro-phenolNSC10257SCHEMBL374815NSC-10257AKOS015849935PS-10215CS-0190996FT-0610580

データベース識別子

CAS: 392-71-2
PubChem CID: 94950
DTXSID: DTXSID30192447
EC Number: 609-626-4
Nikkaji: J534.060H

物性

構造計算による物性

XLogP: 3.2
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: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 49 · 49-51 °C(lit.)
沸点: 142 °C · 142 °C
比重(密度): 1.4571 · 1.4571 (estimate)
闪点: 218 °F · 218 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 7.05 · 7.05±0.23(Predicted)
外見: 光沢のある結晶
色: 白い
BRN: 2046856 · 2046856
CAS データベース: 392 · 392-71-2(CAS DataBase Reference)

化学的性質

化学的特性white shiny crystals

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (11.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (11.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 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 CategoriesAcute Tox. 4 (11.4%)；Acute Tox. 4 (11.4%)；Skin Corr. 1B (11.4%)；Skin Irrit. 2 (88.6%)；Eye Irrit. 2 (88.6%)；STOT SE 3 (86.4%)；Aquatic Chronic 2 (11.4%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 29081900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8

化学と産業

応用分野

用途有機合成原料。

使用2,6-Dichloro-4-fluorophenol is a fluorophenol compound that can be used in substitution, esterification or condensation reactions for the preparation of other organic heterocyclic compounds.