CAS 393-09-9 5-Fluoro-2-nitrobenzotrifluoride (HCID 223094)

名称と識別子

優先名称: 5-Fluoro-2-nitrobenzotrifluoride
IUPAC: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene
現地名: 5-フルオロ-2-ニトロベンゾトリフルオリド
英語名: 5-Fluoro-2-nitrobenzotrifluoride
分子式: C7H3F4NO2
分子量: 209.1

名称と別名

5-Fluoro-2-nitrobenzotrifluoride393-09-94-Fluoro-1-nitro-2-(trifluoromethyl)benzeneWMQOSURXFLBTPC-UHFFFAOYSA-DTXSID00278843RefChem:535849DTXCID80229999609-643-7InChI=1/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H2-Nitro-alpha,alpha,alpha,5-tetrafluorotoluene1-FLUORO-3-TRIFLUOROMETHYL-4-NITROBENZENEBENZENE, 4-FLUORO-1-NITRO-2-(TRIFLUOROMETHYL)-

名称をさらに表示

5-フルオロ-2-ニトロベンゾトリフルオリド5-フルオロ-2-ニトロベンゾトリフルオライド2-ニトロ-α,α,α,5-テトラフルオロトルエン4-フルオロ-1-ニトロ-2-(トリフルオロメチル)ベンゼン5-フルオロ-2-ニトロ-1-(トリフルオロメチル)ベンゼン1-(トリフルオロメチル)-2-ニトロ-5-フルオロベンゼン1-ニトロ-2-(トリフルオロメチル)-4-フルオロベンゼンNSC 10304TIMTEC-BB SBB009908TIMTEC-BB SBB009905-Fluoro-2-nitrobenz5-fluoro-2-nitrotrifluorotoluene5-Fluoro-2-nitro trifluoroMethyl5-Fluoro-2-nitrobenzotrifluorIide

MFCD00039741393-86-24-fluoro-2-(trifluoromethyl)nitrobenzene2-nitro-5-fluorobenzotrifluorideNSC10304SCHEMBL377777SCHEMBL297885205-fluoro-2-nitrobenzo-trifluoride

データベース識別子

CAS: 393-09-9
PubChem CID: 223094
DTXSID: DTXSID00278843
EC Number: 609-643-7
Nikkaji: J1.915.670B

物性

構造計算による物性

XLogP: 3.3
極性表面積: 45.8 Å²
水素結合供与体数: 0
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

融点: 23 °C · 23 °C (lit.)
沸点: 198 · 198-199 °C (lit.)
比重(密度): 1.497 g/mL · 1.497 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.46(lit.)
闪点: 192 °F · 192 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノールに可溶。
外見: clear liquid
色: Light yellow to Yellow to Orange
比重: 1.497 · 1.497
BRN: 3304470 · 3304470
InChI: 1S/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey: WMQOSURXFLBTPC-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(F)cc1C(F)(F)F
CAS データベース: 393 · 393-09-9(CAS DataBase Reference)

化学的性質

化学的特性clear yellow liquid after melting

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 48 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 CategoriesAcute Tox. 4 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (16.7%)；STOT SE 3 (87.5%)

安全データ

wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29049090
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi,F
hazard_note: Flammable/Irritant
safety_code: 26-36/37/39-37/39
hazard_class: 6.1
packing_group: III
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

応用分野 · 3 件

用途有機合成原料。

使用5-Fluoro-2-nitrobenzotrifluoride is a tri-substitiuted benzene derivative used in the preparation of androgen receptor modulators and other pharmaceutical compounds.

一般的な説明5-Fluoro-2-nitrobenzotrifluoride is formed by the nitration of m-fluorobenzotrifluoride.