3-フルオロカテコール

3-Fluorocatechol

HCID 67764CAS 363-52-0
部分構造検索類似構造を探す

基本情報

標準SMILES
Oc1cccc(F)c1O
InChIKey
DXOSJQLIRGXWCF-UHFFFAOYSA-N
分子式
C6H5FO2
平均分子量
128.1 g/mol
単同位体質量
128.02735756

名称と識別子

優先名称
3-Fluorocatechol
IUPAC
3-fluorobenzene-1,2-diol
現地名
3-フルオロカテコール
英語名
3-FLUOROCATECHOL
分子式
C6H5FO2
分子量
128.1

名称と別名

3-Fluorocatechol363-52-03-Fluorobenzene-1,2-diol1,2-Benzenediol, 3-fluoro-3-Fluoro-1,2-dihydroxybenzene3-Fluoro-1,2-benzenediolPyrocatechol, 3-fluoro-1,2-Dihydroxy-3-fluoroBenzeneCHEBI:39876DTXSID50189839RefChem:501960DTXCID60112330
名称をさらに表示
3-フルオロカテコール3-フルオロベンゼン-1,2-ジオール3-フルオロ-1,2-ベンゼンジオール3-フルオロピロカテコール3-フルオロ-1,2-ジヒドロキシベンゼン1-フルオロ-2,3-ジヒドロキシベンゼン3‐フルオロ‐1,2‐ジヒドロキシベンゼン3-Fluorocatechol>3-Fluorocatechol,99%3-Fluorocatechol 99%Guaiacol Impurity 453-FLUOROCATECHOL 98+%3-Fluorobenznen-1,2-diol3-Fluoro-2-hydroxy-phenol
609-233-8MFCD000425821-Fluoro-2,3-dihydroxybenzene3-fluoro-benzene-1,2-diolCL8492CS-W0074823FASY028999

データベース識別子

CAS
363-52-0
PubChem CID
67764
DTXSID
DTXSID50189839
ChEMBL
CHEMBL1230120
ChEBI
CHEBI:39876
EC Number
609-233-8
Nikkaji
J100.369K

物性

構造計算による物性

XLogP
1.6
極性表面積
40.5 Ų
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
9

物理化学的性質

融点
71 · 71-73 °C (lit.)
沸点
218.4 · 218.4±20.0 °C(Predicted)
比重(密度)
1.514 · 1.5140
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka)
8.54 · 8.54±0.10(Predicted)

化学的性質

化学的特性light beige to light brown-grey crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (84.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (10.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (84.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 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

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)；Acute Tox. 4 (84.8%)；Skin Corr. 1B (100%)；Skin Sens. 1 (10.9%)；Eye Dam. 1 (87%)；Acute Tox. 4 (84.8%)

法規制情報

Regulatory InformationChemical: 1,2-Benzenediol, 3-fluoro-

安全データ

wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29081990
risk_code
20/21/22-34
hazard_code
C,Xi
hazard_note
Corrosive

化学と産業

応用分野

使用3-Fluorocatechol is a fluorinated catechol used in the preparation of synthetic humic acid as well as an intermediate in the preparation of 3-fluoroveratrole.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

補足説明

定義ChEBI: A catechol bearing an additional fluoro substituent at position 3.

関連反応

32 件
反応記録を作成

関連ノート

読み込み中…