(Trifluoromethoxy)benzene (HCID 68010)

名称と識別子

優先名称: (Trifluoromethoxy)benzene
IUPAC: trifluoromethoxybenzene
現地名: (トリフルオロメトキシ)ベンゼン
英語名: (Trifluoromethoxy)benzene
分子式: C7H5F3O
分子量: 162.11

名称と別名

(Trifluoromethoxy)benzene456-55-3Benzene, (trifluoromethoxy)-EINECS 207-269-5DTXSID4060028RefChem:408558DTXCID2040440207-269-5TrifluoromethoxybenzenePhenyl trifluoromethyl etherMFCD000408321-(trifluoromethoxy)benzene

名称をさらに表示

(トリフルオロメトキシ)ベンゼントリフルオロメチル(フェニル)エーテルフェニル(トリフルオロメチル)エーテルトリフルオロメトキシベンゼンα,α,α-トリフルオロアニソール(Trifuoromethoxy)benzenetrifluoroanisole(Trifluoromethoxy)bePretomanid Impurity 1à,à,à-trifluoroanisoleα,α,α-TrifluoroanisoleTrifluoeomethoxybenzeneTrifluoromethoxubenzene

trifluorophenoxymethanealpha,alpha,alpha-Trifluoroanisolea,a,a-Trifluoroanisoletrifluoromethoxy-benzenep-trifluoromethoxybenzene(trifluoromethoxy)-benzenetrifluoromethyl phenyl etherSCHEMBL8685

データベース識別子

CAS: 456-55-3
PubChem CID: 68010
DTXSID: DTXSID4060028
ChEMBL: CHEMBL4646410
UNII: ZN7LB36Z85
EC Number: 207-269-5
Nikkaji: J196.166G

物性

構造計算による物性

XLogP: 3.2
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: 11
形式電荷: 0
複雑度: 115

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP3.17

物理化学的性質

融点: -49.9 °C · -49.9°C
沸点: 102 °C · 102 °C(lit.)
比重(密度): 1.226 g/mL · 1.226 g/mL at 25 °C(lit.)
蒸気圧: 41.3 mm · 41.3 mm Hg ( 25 °C)
屈折率: 20 · n20/D 1.406(lit.)
闪点: 54 °F · 54 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: clear liquid
色: Colorless to Almost colorless
比重: 1.226 · 1.226
BRN: 2043132 · 2043132
InChI: 1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey: GQHWSLKNULCZGI-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1ccccc1
CAS データベース: 456 · 456-55-3(CAS DataBase Reference)
NISTの化学物質情報: Trifluoromethoxybenzene(456-55-3)
EPAの化学物質情報: (Trifluoromethoxy)benzene (456-55-3)

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 · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 48 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. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29093090
risk_code: 11-36/37/38
消防法: 危-4-1-II
hazard_code: F,Xi,C
hazard_note: Flammable/Corrosive
safety_code: 16-26-36/37/39-9-33
hazard_class: 3
packing_group: II
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationBenzene, (trifluoromethoxy)-: ACTIVE

応用分野 · 1 件

一般的な説明(Trifluoromethoxy)benzene is an aryl trifluoromethyl ether. (Trifluoromethoxy)benzene can be prepared from 4-chloro-1-(trifluoromethoxy)benzene via hydrogenolysis. Conformation of (trifluoromethoxy)benzene in the gas phase has been studied by electron diffraction and spectroscopy supplemented with ab initio calculations.