2-Nitro-4-(trifluoromethyl)phenol (HCID 9816)

名称と識別子

優先名称: 2-Nitro-4-(trifluoromethyl)phenol
IUPAC: 2-nitro-4-(trifluoromethyl)phenol
現地名: 4-(トリフルオロメチル)-2-ニトロフェノール
英語名: 4-Hydroxy-3-nitrobenzotrifluoride
分子式: C7H4F3NO3
分子量: 207.11

名称と別名

2-Nitro-4-(trifluoromethyl)phenolPhenol, 2-nitro-4-(trifluoromethyl)-BRN 2215510EINECS 206-927-9DTXSID6059946XZEDEVRSUANQEM-UHFFFAOYSA-4-06-00-02150 (Beilstein Handbook Reference)RefChem:88674DTXCID2039704206-927-9InChI=1/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12HXZEDEVRSUANQEM-UHFFFAOYSA-N

名称をさらに表示

2-ニトロ-4-(トリフルオロメチル)フェノール2-ニトロ-4-トリフルオロメチルフェノール4-(トリフルオロメチル)-2-ニトロフェノール2-ニトロ-4-(トリフルオロメチル)-フェノ-ル4-ヒドロキシ-3-ニトロベンゾトリフルオリド4-Hydroxy-3-nitrobenalpha,alpha,alpha-trifluoro-22-nitro-4-trifluoromethlphenol5-Nitro-2-trifluoromethyl-phenol2-Nitro-4-(trifluormethyl)phenol2-nitro-4-(trifluoromethyl)-pheno4-HYDROXY-3-NITROBENZOTRIFLUOROIDE3-nitro-4-hydroxy-benzotrifluoride

400-99-74-Hydroxy-3-nitrobenzotrifluorideMFCD000097912-Nitro-4-Trifluoromethylphenol2-nitro-4-trifluoromethyl-phenol2-Nitro-alpha,alpha,alpha-trifluoro-p-cresolCU9AQU8UALp-Cresol, 2-nitro-alpha,alpha,alpha-trifluoro-

データベース識別子

CAS: 400-99-7
PubChem CID: 9816
DTXSID: DTXSID6059946
UNII: CU9AQU8UAL
EC Number: 206-927-9
Nikkaji: J118.439C

物性

構造計算による物性

XLogP: 2.3
極性表面積: 66.1 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 225

物理化学的性質

沸点: 92 · 92-94 °C12 mm Hg(lit.)
比重(密度): 1.473 g/mL · 1.473 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.504(lit.)
闪点: 203 °F · 203 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
酸解離定数(Pka): 5.53 · 5.53±0.14(Predicted)
色: 黄色からオレンジ
BRN: 2215510 · 2215510
InChI: 1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChIKey: XZEDEVRSUANQEM-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F
CAS データベース: 400 · 400-99-7(CAS DataBase Reference)
EPAの化学物質情報: 2 · Phenol, 2-nitro-4-(trifluoromethyl)- (400-99-7)

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 (97.9%): 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 47 reports by companies from 7 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. 2 (100%)；STOT SE 3 (97.9%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: GP2984950
毒性: LD50 ipr-mus: 800 mg/kg JPMSAE 57,1763,68
hs_code: 29089990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationPhenol, 2-nitro-4-(trifluoromethyl)-: INACTIVE

応用分野

使用2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester.

一般的な説明2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen.

上流・下流製品情報

上流原料

4-アミノ-3-ニトロベンゾトリフルオリド水酸化ナトリウム塩酸 4-クロロ-3-ニトロベンゾトリフルオリドメタノール 2-メトキシエタノール 4-ヒドロキシベンゾトリフルオリドベンゾドデシニウムクロリド

下流製品

4-フルオロ-3-ニトロベンゾトリフルオリド 2-アミノ-4-(トリフルオロメチル)フェノール 6-(トリフルオロメチル)-2H-1,4-ベンゾキサジン-3(4H)-オン

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

宁波振岳医药科技有限公司19817745290 · [email protected]

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

4-(トリフルオロメチル)-2-ニトロフェノール

基本情報