4-Bromo-3-fluorotoluene (HCID 573280)

名称と識別子

優先名称: 4-Bromo-3-fluorotoluene
IUPAC: 1-bromo-2-fluoro-4-methylbenzene
現地名: 4-ブロモ-3-フルオロトルエン
英語名: 4-Bromo-3-fluorotoluene
分子式: C7H6BrF
分子量: 189.02

名称と別名

4-Bromo-3-fluorotoluene452-74-4DTXSID60341466RefChem:519960DTXCID80292547629-423-41-Bromo-2-fluoro-4-methylbenzene3-fluoro-4-bromotolueneBenzene, 1-bromo-2-fluoro-4-methyl-1-BROMO-2-FLUORO-4-METHYL-BENZENEMFCD000409403-fluoro-4-bromo-toluene

名称をさらに表示

4-ブロモ-3-フルオロトルエン1‐ブロモ‐2‐フルオロ‐4‐メチルベンゼン4-ブロモ-3-フルオロトルエン臭化物4‐ブロモ‐3‐フルオロトルエン1-ブロモ-2-フルオロ-4-メチルベンゼン3-フルオロ-4-ブロモトルエン4-Bromo-3-fL4-Bromo-3-flurotoluene3-FLUORO-4-BROMO-TOLUONE4-Bromo-3-fluorotoluene >4-Bromo-3-fluorotoluene 98%4-Bromo-3-fluorotoluene,98+%4-BroMo-3-fluorotoluene, 98% 5GR

4-bromo3-fluorotolueneTrelagliptin Impurity 95SCHEMBL157146SCHEMBL4044340SCHEMBL9795831SCHEMBL9795840SCHEMBL20490056SCHEMBL29570973

データベース識別子

CAS: 452-74-4
PubChem CID: 573280
DTXSID: DTXSID60341466
EC Number: 629-423-4
Nikkaji: J1.355.812D

物性

構造計算による物性

XLogP: 3.1
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: 94.9

物理化学的性質

沸点: 95 °C/50 · 95 °C/50 mmHg (lit.)
比重(密度): 1.494 g/mL · 1.494 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.53(lit.)
闪点: 95 °F · 95 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 液体
比重: 1.494 · 1.494
色: クリアライトイエロー
BRN: 2500154 · 2500154
InChI: InChI=1S/C7H6BrF/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey: SLFNGVGRINFJLK-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C)C=C1F
CAS データベース: 452 · 452-74-4(CAS DataBase Reference)

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 · 4 件

Warning

H226 (89.4%): Flammable liquid and vapor [Warning Flammable liquids]

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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (89.4%)

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
hazard_note: Irritant
safety_code: 26-37/39-16
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4-Bromo-3-fluorotoluene is used in the synthesis of S-trityl-L-cysteine based inhibitors that show potent antitumor activity in lung cancer models. Chemical reagent for organic synthesis.

一般的な説明4-Bromo-3-fluorotoluene (1-bromo-2-fluoro-4-methylbenzene) is an aryl fluorinated building block. Synthesis of 4-bromo-3-fluorotoluene from o-nitro-p-toluidine (Fast Red Base GL), via diazo reaction at high temperature, Sandmeyer reaction, reduction and Schiemann reaction has been reported. Its density and refractive index have been determined.