CAS 17515-77-4 2-(Bromomethyl)-5-(trifluoromethyl)furan (HCID 2794605)

基本情報

CAS: 17515-77-4
標準SMILES: FC(F)(F)c1ccc(CBr)o1
InChIKey: YNHVBNGRNNVEMD-UHFFFAOYSA-N
分子式: C6H4BrF3O
平均分子量: 228.99 g/mol
単同位体質量: 227.93976151

名称と識別子

優先名称: 2-(Bromomethyl)-5-(trifluoromethyl)furan
IUPAC: 2-(bromomethyl)-5-(trifluoromethyl)furan
現地名: 2-(ブロモメチル)-5-(トリフルオロメチル)フラン
英語名: 2-(Bromomethyl)-5-(trifluoromethyl)furan
分子式: C6H4BrF3O
分子量: 228.99

名称と別名

2-(bromomethyl)-5-(trifluoromethyl)furan17515-77-4DTXSID70383251RefChem:253352DTXCID40334275695-392-9Furan, 2-(bromomethyl)-5-(trifluoromethyl)-MFCD03086219SCHEMBL2451292-bromomethyl-5-(trifloromethyl)furanCS-W005242SY059454

名称をさらに表示

2-(ブロモメチル)-5-(トリフルオロメチル)フラン2-(Bromomethyl)-5-(trifluoromethyl)furaneFuran,2-(broMoMethyl)-5-(trifluoroMethyl)-2-(Bromomethyl)-5-(trifluoromethyl)furan97%2-(Bromomethyl)-5-(trifluoromethyl)furan 97%

2-(bromomethyl)-5-(trifluoromethyl)furan, AldrichCPR2-(bromomethyl)-5-(trifluoromethyl)-furan2-(Bromomethyl)-5-(trifluoromethyl)furan (ACI)2-bromomethyl-5-trifluoromethylfuran2-bromomethyl-5-(trifluoromethyl)furanA26868A8118065-(trifluoromethyl)furfuryl bromide

データベース識別子

CAS: 17515-77-4
PubChem CID: 2794605
DTXSID: DTXSID70383251
EC Number: 695-392-9

物性

構造計算による物性

XLogP: 2.5
極性表面積: 13.1 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: 136

物理化学的性質

沸点: 38 °C · 38 °C
比重(密度): 1.693 · 1.693±0.06 g/cm3(Predicted)
屈折率: 1.45 · 1.45
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム（微量）、酢酸エチル（微量）
外見: 油
色: 無色透明
InChI: InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
InChIKey: YNHVBNGRNNVEMD-UHFFFAOYSA-N
SMILES: O1C(C(F)(F)F)=CC=C1CBr

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (20%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 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 (20%)

安全データ

wgk: WGK 3
ridadr: 1760
hs_code: 2932190090
risk_code: 34-36/37/38-43
消防法: 危-4-2-III
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-36/37
hazard_class: 8
packing_group: Ⅲ
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects