1-Bromo-4-(trifluoromethoxy)benzene (HCID 521008)

名称と識別子

優先名称: 1-Bromo-4-(trifluoromethoxy)benzene
IUPAC: 1-bromo-4-(trifluoromethoxy)benzene
現地名: 1-ブロモ-4-(トリフルオロメトキシ)ベンゼン
英語名: 1-Bromo-4-(trifluoromethoxy)benzene
分子式: C7H4BrF3O
分子量: 241.01

名称と別名

1-Bromo-4-(trifluoromethoxy)benzene407-14-7EINECS 206-979-2DTXSID90193672RefChem:430616DTXCID30116163206-979-24-(Trifluoromethoxy)bromobenzene4-Bromo(trifluoromethoxy)benzene4-trifluoromethoxybromobenzeneBenzene, 1-bromo-4-(trifluoromethoxy)-p-bromotrifluoromethoxybenzene

名称をさらに表示

1-ブロモ-4-(トリフルオロメトキシ)ベンゼン4-ブロモフェニル(トリフルオロメチル)エーテル1-ブロモ4-(トリフルオロメトキシ)ベンゼン1‐ブロモ‐4‐(トリフルオロメトキシ)ベンゼン4-ブロモ-1-(トリフルオロメチルオキシ)ベンゼントリフルオロメチル(4-ブロモフェニル)エーテル4-Bromozbenzotrifluoride1-Bromo-4-(trifLTIMTEC-BB SBB0066061-Bromo-4-(trifluoroBenzene, 1-bromo-4-(trifluoP-Bromotrifluoromethoxybenzen1-Bromo-4-(Trifluoromethoxy)Be

MFCD000408344-bromo-1-(trifluoromethoxy)benzenep-Bromophenyl trifluoromethyl ether1-bromo-4-trifluoromethoxy-benzenep-trifluoromethoxybromobenzene4-bromotrifluoromethoxybenzene4-bromo-trifluoromethoxybenzene4-trifluoromethoxy-1-bromobenzene

データベース識別子

CAS: 407-14-7
PubChem CID: 521008
DTXSID: DTXSID90193672
UNII: AD5CH69MK6
EC Number: 206-979-2
Nikkaji: J213.665A

物性

構造計算による物性

XLogP: 3.8
極性表面積: 9.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 140

物理化学的性質

沸点: 80 °C50 · 80 °C50 mm Hg(lit.)
比重(密度): 1.622 g/mL · 1.622 g/mL at 25 °C(lit.)
蒸気圧: 20 hPa · 20 hPa (55 °C)
屈折率: 20 · n20/D 1.461(lit.)
闪点: 154 °F · 154 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 11.7 mg/l · 11.7mg/l
外見: 液体
比重: 1.64 · 1.64
色: 無色透明～黄色
水溶解度: 11.7 mg/L · 11.7mg/L
BRN: 2046332 · 2046332
InChI: InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey: SEAOBYFQWJFORM-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(OC(F)(F)F)C=C1
CAS データベース: 407 · 407-14-7(CAS DataBase Reference)
NISTの化学物質情報: P-bromophenyl trifluoromethyl ether(407-14-7)

化学的性質

化学的特性CLEAR COLOURLESS TO YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (70.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (70.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (81.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 8 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 InformationStatus: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159

Hazard Classes and CategoriesAcute Tox. 4 (70.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (83.6%)；Resp. Sens. 1 (70.9%)；STOT SE 3 (81.8%)

法規制情報

Regulatory InformationStatus: Cease Manufacture Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21159

安全データ

wgk: 1
ridadr: UN 3082 9/PG 3
毒性: LD50 orally in Rabbit: > 2500 mg/kg
hs_code: 29093090
risk_code: 22-36/37/38-43-51/53
消防法: 危-4-2-III
hazard_code: Xn,N,Xi
safety_code: 26-36/37-61-37/39-36
hazard_class: IRRITANT
Hazard Classifications: Skin Irrit. 2
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1-Bromo-4-(trifluoromethoxy)benzene was used in the synthesis of 4-{[4-[(2-ethylhexyloxy)-6-(4-morpholinylmethyl)-4-trifluoromethyl][1,1-biphenyl]-3-yl]methyl}morpholine.

一般的な説明1-Bromo-4-(trifluoromethoxy)benzene on treatment with lithium diisopropylamide (LIDA) at -100°C gives 5-bromo-2-(trifluoromethoxy)phenyllithium and at -75°C it eliminates lithium bromide, thus generating 1,2-dehydro-4-(trifluoromethoxy)benzene.