1-クロロ-2,4,6-トリフルオロベンゼン塩化物

1-Chloro-2,4,6-trifluorobenzene

HCID 2736662CAS 2106-40-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1cc(F)c(Cl)c(F)c1
InChIKey: HNUHTJBTOGQIHV-UHFFFAOYSA-N
分子式: C6H2ClF3
平均分子量: 166.53 g/mol
単同位体質量: 165.9797124

名称と識別子

優先名称: 1-Chloro-2,4,6-trifluorobenzene
IUPAC: 2-chloro-1,3,5-trifluorobenzene
現地名: 1-クロロ-2,4,6-トリフルオロベンゼン塩化物
英語名: 2,4,6-Trifluorochlorobenzene
分子式: C6H2ClF3
分子量: 166.53

名称と別名

1-Chloro-2,4,6-trifluorobenzeneRefChem:431169630-695-12106-40-32-chloro-1,3,5-trifluorobenzene2,4,6-Trifluorochlorobenzene2-chloro-1,3,5-trifluoro-benzeneMFCD00012239Benzene, 2-chloro-1,3,5-trifluoro-C146SCHEMBL1043332SCHEMBL1045916

名称をさらに表示

1-クロロ-2,4,6-トリフルオロベンゼン塩化物1-クロロ-2,4,6-トリフルオロベンゼン

DTXSID90371514HNUHTJBTOGQIHV-UHFFFAOYSA-NSBB0880392-Chloro-1,3,5-trifluoro-benzene;AKOS007930258AS-33098SY106554DB-015819

データベース識別子

CAS: 2106-40-3
PubChem CID: 2736662
DTXSID: DTXSID90371514
EC Number: 630-695-1
Nikkaji: J1.099.739I

物性

構造計算による物性

XLogP: 2.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 108

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: -3 · -3--2 °C
沸点: 124 °C · 124 °C(lit.)
比重(密度): 1.463 g/mL · 1.463 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.456(lit.)
闪点: 106 °F · 106 °F
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
CAS データベース: 2106 · 2106-40-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): 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 38 reports by companies from 1 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 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 2903998090
risk_code: 10-36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 16-26-36/37/39
hazard_class: 3.2
packing_group: III

化学と産業

応用分野 · 1 件

説明2,4,6-Trifluorochlorobenzene is an organic compound that is usually a colorless or light yellow liquid. It is not easily soluble in water, but soluble in most organic solvents. It is stable at room temperature and pressure, but should be avoided from contact with strong oxidants. It can be used in organic synthesis of pesticides, dyes, etc.