Ethanone, 2-chloro-1,2-diphenyl- (HCID 95343)

名称と識別子

優先名称: Ethanone, 2-chloro-1,2-diphenyl-
IUPAC: 2-chloro-1,2-diphenylethanone
現地名: 2-クロロ-2-フェニルアセトフェノン
英語名: DESYL CHLORIDE
分子式: C14H11ClO
分子量: 230.69

名称と別名

Desyl chloride2-Chloro-2-phenylacetophenone1,2-Diphenyl-2-chloroethanonealpha-Chlorobenzyl phenyl ketoneAcetophenone, 2-chloro-2-phenyl-NSC 2883Ethanone, 2-chloro-1,2-diphenyl-2-Chloro-1,2-diphenylethoneEINECS 207-181-7alpha-Chloro-alpha-phenyl acetophenoneBRN 0744474Acetophenone, alpha-chloro-alpha-phenyl-

名称をさらに表示

2-クロロ-2-フェニルアセトフェノン2-クロロ-1,2-ジフェニルエタン-1-オンα-クロロ-α-フェニルアセトフェノン1,2-ジフェニル-2-クロロエタノンデシルクロリド2-クロロ-1,2-ジフェニルエタノンα-クロロデオキシベンゾインDesylchloride,98%AKOS BBS-00004804AVO Desyl ChlorideALPHA-CHLORODEOXYBENZOINALPHA-CHLORODESOXYBENZOIN2-chloro-1,2-diphenyl-ethonω-chloro-ω-phenylacetophenoneà-chloro-à-phenylacetophenone

AI3-22036Ethone, 2-chloro-1,2-diphenyl-3-07-00-02106 (Beilstein Handbook Reference)RefChem:592567Acetophenone, 2-chloro-2-phenyl-(8CI)Ethone, 2-chloro-1,2-diphenyl-(9CI)447-31-42-Chloro-1,2-diphenylethanone

データベース識別子

CAS: 447-31-4
PubChem CID: 95343
DTXSID: DTXSID50870538
EC Number: 207-181-7
Nikkaji: J11.380H

物性

構造計算による物性

XLogP: 3.4
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: 1
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 227

物理化学的性質

融点: 62 · 62-63 °C(lit.)
沸点: 330 °C · 330°C (rough estimate)
比重(密度): 1.1223 · 1.1223 (rough estimate)
屈折率: 1.526 · 1.5260 (estimate)
貯蔵温度: 30 °C · Store below +30°C.
外見: powder to crystal
色: White to Almost white
BRN: 744474 · 744474
InChI: InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey: RXDYOLRABMJTEF-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC=C1)C(Cl)C1=CC=CC=C1
CAS データベース: 447 · 447-31-4(CAS DataBase Reference)
EPAの化学物質情報: Desyl chloride (447-31-4)

化学的性質

化学的特性off-white to light beige powder

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 (90.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 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.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (90.9%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AM6825000
ridadr: UN 3261 8/PG 2
hs_code: 2914 79 00
risk_code: 34-37
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible, corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationEthanone, 2-chloro-1,2-diphenyl-: ACTIVE

調製方法 · 1 件

純化方法For the purification of small quantities recrystallise it from pet ether (b 40-60o), but use MeOH or EtOH for larger quantities. For the latter solvent, dissolve 12.5g of chloride in 45mL of boiling EtOH (95%), filter and the filtrate yields colourless crystals (7.5g) on cooling. A further crop (0.9g) can be obtained by cooling in an ice-salt bath. It turns brown on exposure to sunlight but it is stable in sealed dark containers. The R(+)-enantiomer has m 75-76o (from pet ether) and []546.1 +168.4o (c 0.6, Me2CO) [Roger & Wood J Chem Soc 811 1954]. [Henley & Turner J Chem Soc 1182 1931, Ward Org Synth Coll Vol II 159 1943, Beilstein 7 H 436, 7 I 234, 7 II 369, 7 III 2106, 7 IV 1396.]