3,4-ジクロロベンゾフェノン

3,4-Dichlorobenzophenone

HCID 80494CAS 6284-79-3

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N
分子式: C13H8Cl2O
平均分子量: 251.1 g/mol
単同位体質量: 249.9952203

名称と識別子

優先名称: 3,4-Dichlorobenzophenone
IUPAC: (3,4-dichlorophenyl)-phenylmethanone
現地名: 3,4-ジクロロベンゾフェノン
英語名: 3,4-Dichlorobenzophenone
分子式: C13H8Cl2O
分子量: 251.11

名称と別名

3,4-Dichlorobenzophenone6284-79-3NSC-5249A8X2V9A7UWDTXSID90212014RefChem:91026DTXCID90134505228-509-5(3,4-Dichlorophenyl)(phenyl)methanoneMethanone, (3,4-dichlorophenyl)phenyl-Benzophenone, 3,4-dichloro-(3,4-dichlorophenyl)-phenylmethanone

名称をさらに表示

3,4-ジクロロベンゾフェノン1,2-ジクロロ-4-ベンゾイルベンゼン(3,4-ジクロロフェニル)(フェニル)メタノンLABOTEST-BB LT004555253,4-Dichlorobenzophenone99%3,4-DiChlororobenzo phenone3,4-Dichlorobenzophenone>3,4-Dichlorobenzophenone,98%3,4-Dichlorobenzophenone 99%Phenyl 3,4-dichlorophenyl ketone(3,4-Dichlorophenyl)phenyl-methanone

3,4-Dichlorophenyl phenyl ketoneNSC5249EINECS 228-509-5MFCD00000552SCHEMBL333237AKOS009156379PS-11162D3574

データベース識別子

CAS: 6284-79-3
PubChem CID: 80494
DTXSID: DTXSID90212014
UNII: A8X2V9A7UW
EC Number: 228-509-5
Nikkaji: J81.176I

物性

構造計算による物性

XLogP: 4.7
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: 2
重原子数: 16
形式電荷: 0
複雑度: 248

物理化学的性質

融点: 100 · 100-103 °C
沸点: 356.37 °C · 356.37°C (rough estimate)
比重(密度): 1.2472 · 1.2472 (rough estimate)
屈折率: 1.5555 · 1.5555 (estimate)
貯蔵温度: 2 · 2-8°C
外見: powder to crystal
色: White to Light yellow to Light orange
BRN: 2105069 · 2105069
InChI: InChI=1S/C13H8Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey: LLUPHTAYNHAVQT-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C(Cl)=C1)(C1=CC=CC=C1)=O
CAS データベース: 6284 · 6284-79-3(CAS DataBase Reference)

化学的性質

化学的特性light brown to pink-grey crystalline powde

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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 Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2914790090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25

化学と産業

応用分野

使用3,4-Dichlorobenzophenone has been used as a reactant for the preparation of chiral benzyl alcohols.

上流・下流製品情報

上流原料

ベンゾイルクロリド塩化アルミニウム(Ⅲ)六水和物 o-ジクロロベンゼン

下流製品

セルトラリン塩酸塩

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]