2,4-ジフルオロベンゾイルクロリド

2,4-Difluorobenzoyl chloride

HCID 588081

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 72482-64-5
標準SMILES: O=C(Cl)c1ccc(F)cc1F
InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N
分子式: C7H3ClF2O
平均分子量: 176.55 g/mol
単同位体質量: 175.9840487

名称と識別子

優先名称: 2,4-Difluorobenzoyl chloride
IUPAC: 2,4-difluorobenzoyl chloride
現地名: 2,4-ジフルオロベンゾイルクロリド
英語名: 2,4-Difluorobenzoyl chloride
分子式: C7H3ClF2O
分子量: 176.55

名称と別名

2,4-Difluorobenzoyl chloride72482-64-5Benzoyl chloride, 2,4-difluoro-2,4-difluorobenzoic acid chloride77DL5FRC0ZEINECS 276-690-4JSWRVDNTKPAJLB-UHFFFAOYSA-DTXSID302227782,4-DIFLUOROBENZOYL CHLORIDE ACID CHLORIDERefChem:82425DTXCID60145269276-690-4

名称をさらに表示

2,4-ジフルオロベンゾイルクロリド2,4-ジフルオロベンゾイルクロリド2,4-ジフルオロ安息香酸クロリド塩化2,4-ジフルオロベンゾイル2,4-ジフルオロベンゾイル=クロリドSKL1283TIMTEC-BB SBB0066232,4-Difluorobenzoyl2,4-Difluorbenzoylchlorid2,4-DifluorobenzoylChloride>2,4-Difluorobenzoylchloride98%2,4-Difluorobenzoyl chloride 98%2,4-Difluorobenzoyl chloride,97%

InChI=1/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3HJSWRVDNTKPAJLB-UHFFFAOYSA-N2,4-difluorobenzoylchlorideMFCD000006582,4difluorobenzoylchlorideUNII-77DL5FRC0Z2,4-difluorobezoyl chloride2,4 difluorobenzoyl chloride

データベース識別子

CAS: 72482-64-5
PubChem CID: 588081
DTXSID: DTXSID30222778
UNII: 77DL5FRC0Z
EC Number: 276-690-4
Nikkaji: J208.432E

物性

構造計算による物性

XLogP: 2.6
極性表面積: 17.1 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: 1
重原子数: 11
形式電荷: 0
複雑度: 163

物理化学的性質

融点: 70 · 70-71 °C
沸点: 96 · 96-98 °C (15 mmHg)
比重(密度): 1.437 g/mL · 1.437 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.5157(lit.)
闪点: 180 °F · 180 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
色: Colorless to Light yellow
比重: 1.437 · 1.437
水溶解度: 反応する
BRN: 4800566 · 4800566
InChI: 1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H
InChIKey: JSWRVDNTKPAJLB-UHFFFAOYSA-N
SMILES: Fc1ccc(c(F)c1)C(Cl)=O
CAS データベース: 72482 · 72482-64-5(CAS DataBase Reference)

化学的性質

化学的特性clear light yellow to yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (39%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (90.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 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.