塩化3,4-ジフルオロベンジル

3,4-Difluorobenzyl Chloride

HCID 2736954CAS 698-80-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Fc1ccc(CCl)cc1F
InChIKey: VTGRVYJPIVZZGS-UHFFFAOYSA-N
分子式: C7H5ClF2
平均分子量: 162.56 g/mol
単同位体質量: 162.0047842

名称と識別子

優先名称: 3,4-Difluorobenzyl Chloride
IUPAC: 4-(chloromethyl)-1,2-difluorobenzene
現地名: 塩化3,4-ジフルオロベンジル
英語名: 3,4-Difluorobenzyl chloride
分子式: C7H5ClF2
分子量: 162.56

名称と別名

3,4-Difluorobenzyl chloride698-80-6DTXSID20371729RefChem:270929DTXCID30322762671-872-34-(chloromethyl)-1,2-difluorobenzeneMFCD002362184-(chloromethyl)-1,2-difluoro-benzene3,4-Difluorobenzylchloride3,4-Difluor-benzylchloridBENZENE, 4-(CHLOROMETHYL)-1,2-DIFLUORO-

名称をさらに表示

塩化3,4-ジフルオロベンジル3,4-ジフルオロベンジルクロリド3,4‐ジフルオロベンジルクロリド3,4-Difluorobenzylchloride,98%3,4-Difluorobenzyl chloride 98%3,4-Difluorobenzyl chloride, 98% 5GR3,4-Difluorobenzyl chloride, 98% 25GR[(3,4-difluorophenyl)Methyl]chloranuidealpha-Chloro-3,4-difluorotoluene, 4-(Chloromethyl)-1,2-difluorobenzene

3,4-difluorobenzylchloride;3,4-difluorobenzyl chloride;EBD9353051-(chloromethyl)-3,4-difluorobenzene4-chloromethyl-1,2-difluoro-benzene;SCHEMBL1503157SCHEMBL29489387VTGRVYJPIVZZGS-UHFFFAOYSA-N

データベース識別子

CAS: 698-80-6
PubChem CID: 2736954
DTXSID: DTXSID20371729
EC Number: 671-872-3
Nikkaji: J1.212.496A

物性

構造計算による物性

XLogP: 2.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 108

物理化学的性質

融点: 52 · 52-53 °C
沸点: 28 °C · 28 °C
比重(密度): 1.294 · 1.294±0.06 g/cm3(Predicted)
屈折率: 1.49 · 1.49
闪点: 27 · 27-29°C/0.4mm
貯蔵温度: Inert atmosphere,Room Temperature
外見: 液体
色: 無色透明～微黄色
CAS データベース: 698 · 698-80-6(CAS DataBase Reference)

化学的性質

化学的特性Clear colorless to faintly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 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.