CAS 777-37-7 2-Chloro-5-nitrobenzotrifluoride (HCID 61213)

名称と識別子

優先名称: 2-Chloro-5-nitrobenzotrifluoride
IUPAC: 1-chloro-4-nitro-2-(trifluoromethyl)benzene
現地名: 2-クロロ-5-ニトロベンゾトリフルオリド
英語名: 2-Chloro-5-nitrobenzotrifluoride
分子式: C7H3ClF3NO2
分子量: 225.55

名称と別名

2-Chloro-5-nitrobenzotrifluoride777-37-7BENZENE, 1-CHLORO-4-NITRO-2-(TRIFLUOROMETHYL)-NSC 9467EINECS 212-287-14-Nitro-2-(trifluoromethyl)chlorobenzeneAI3-28914DTXSID3061130RefChem:86310DTXCID7047986HQROXDLWVGFPDE-UHFFFAOYSA-N1-Chloro-4-nitro-2-(trifluoromethyl)benzene

名称をさらに表示

2-クロロ-5-ニトロベンゾトリフルオリド5-ニトロ-2-クロロ-α,α,α-トリフルオロトルエン1-(トリフルオロメチル)-2-クロロ-5-ニトロベンゼン1-クロロ-4-ニトロ-2-(トリフルオロメチル)ベンゼン2-クロロ-5-ニトロ-1-(トリフルオロメチル)ベンゼン1-クロロ-2-(トリフルオロメチル)-4-ニトロベンゼン2-(トリフルオロメチル)-4-ニトロフェニルクロリド4-クロロ-3-トリフルオロメチル-1-ニトロベンゼン2-クロロ-5-ニトロ-1-トリフルオロメチルベンゼン1-クロロ-4-ニトロ-6-トリフルオロメチルベンゼンTIMTEC-BB SBB0076652-chloro-5-nitrobenzotrifuoride2-chloro-5-nitrotrifluorotoluol2-Chloro-5-nitrobenzotriluoride5-NITRO-2-CHLOROBENZOTRIFLUORIDE2-Chloro-5-nitrobenzotrifluoride98%2-Chloro-5-nitrobenzotrifluoride,96%2-Chloro-5-nitrobenzotrifluoride 98%

4-Chloro-3-(trifluoromethyl)nitrobenzene3-(Trifluoromethyl)-4-chloronitrobenzeneMFCD000072962-(Trifluoromethyl)-4-nitrochlorobenzeneToluene, 2-chloro-.alpha.,.alpha.,.alpha.-trifluoro-5-nitro-1-chloro-4-nitro-2-trifluoromethyl-benzeneNSC9467SCHEMBL147513

データベース識別子

CAS: 777-37-7
PubChem CID: 61213
DTXSID: DTXSID3061130
EC Number: 212-287-1
Nikkaji: J38.274D

物性

構造計算による物性

XLogP: 4
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: 5
回転可能結合数: 0
重原子数: 14
形式電荷: 0
複雑度: 228

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

物理化学的性質

融点: 22 °C · 22°C
沸点: 108 °C/10 · 108 °C/10 mmHg (lit.)
比重(密度): 1.527 g/mL · 1.527 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.508(lit.)
闪点: 210 °F · 210 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to lump to clear liquid
色: White or Colorless to Yellow
比重: 1.527 · 1.527
凝固点: 20 to · 20.0 to 23.0 ℃
BRN: 2216169 · 2216169
InChI: 1S/C7H3ClF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey: HQROXDLWVGFPDE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Cl)c(c1)C(F)(F)F
CAS データベース: 777 · 777-37-7(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-chloro-4-nitro-2-(trifluoromethyl)-(777-37-7)
EPAの化学物質情報: 2 · 2-Chloro-5-nitrobenzotrifluoride (777-37-7)

化学的性質

化学的特性Clear colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29039990
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye 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 InformationBenzene, 1-chloro-4-nitro-2-(trifluoromethyl)-: INACTIVE

応用分野 · 2 件

用途有機合成原料。

使用2-Chloro-5-nitrobenzotrifluoride is a polysubstituted organic fluorotoluene analogue. Its molecular structure has a reactive group chlorine atom at the 2-position and a nitro group at the 5-position. Therefore, the substance has high chemical reactivity and is widely used in the field of organic synthesis. It can be used to prepare asymmetric and symmetric diamine monomers containing trifluoromethyl groups, which in turn can be used to further prepare soluble polyimide, a multifunctional molecular material[1].