2-Chloro-4-fluorotoluene (HCID 96747)

名称と識別子

優先名称: 2-Chloro-4-fluorotoluene
IUPAC: 2-chloro-4-fluoro-1-methylbenzene
現地名: 2-クロロ-4-フルオロトルエン
英語名: 2-Chloro-4-fluorotoluene
分子式: C7H6ClF
分子量: 144.57

名称と別名

2-Chloro-4-fluorotoluene452-73-32-Chloro-4-fluoro-1-methylbenzeneBenzene, 2-chloro-4-fluoro-1-methyl-4-fluoro-2-chlorotolueneGP4EY2J3GPEINECS 207-209-8NSC-88317DTXSID50196427NSC 88317TOLUENE, 2-CHLORO-4-FLUORO-RefChem:468997

名称をさらに表示

2-クロロ-4-フルオロトルエン4-フルオロ-2-クロロトルエン3-クロロ-4-メチルフェニルフルオリド1-クロロ-5-フルオロ-2-メチルベンゼン2クロロ4フルオロトルエン2-クロロ-4-フルオロ-1-メチルベンゼン2-Chlor-4-fluortoluoloro-4-fL2-CHLORO-3-FLUOROTOLU2-Chloro-4-fluorotoluene >2-Chloro-4-fluorotoluene 98%2-Chloro-4-fluorotoluene,98%3-Chloro-4-methylphenyl fluoride

DTXCID60118918207-209-82-Chloro-4-fluorotolueneCMFCD00000572NSC883172-chloro-4fluorotoluene4-Fluor-2-chlor-toluolUNII-GP4EY2J3GP

データベース識別子

CAS: 452-73-3
PubChem CID: 96747
DTXSID: DTXSID50196427
UNII: GP4EY2J3GP
EC Number: 207-209-8
Nikkaji: J149.709J

物性

構造計算による物性

XLogP: 3.7
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 94

物理化学的性質

沸点: 154 · 154-156 °C (lit.)
比重(密度): 1.197 g/mL · 1.197 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.499(lit.)
闪点: 122 °F · 122 °F
貯蔵温度: 2 · 2-8°C
外見: clear liquid
色: Colorless to Light yellow
比重: 1.197 · 1.197
BRN: 1931690 · 1931690
InChI: InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1Cl
CAS データベース: 452 · 452-73-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Chloro-4-fluorotoluene(452-73-3)

化学的性質

化学的特性colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 InformationBenzene, 2-chloro-4-fluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (95.7%)

法規制情報

Regulatory InformationBenzene, 2-chloro-4-fluoro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 16-26-36/37/39-36
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用2-Chloro-4-fluorotoluene has been used in the preparation of 2-chloro-4-fluoro-benzylbromide.

一般的な説明2-Chloro-4-fluorotoluene generates vibronically excited, jet-cooled benzyl-type radicals by corona excited supersonic expansion coupled with a pinhole-type glass nozzle technique.