2-クロロベンゾイルクロリド

2-Chlorobenzoyl chloride

HCID 69110CAS 1321-03-5
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(Cl)c1ccccc1Cl
InChIKey
ONIKNECPXCLUHT-UHFFFAOYSA-N
分子式
C7H4Cl2O
平均分子量
175.01 g/mol
単同位体質量
173.96392011

概要

2-chlorobenzoyl chloride is an acyl chloride consisting of benzoyl chloride having a chloro substituent in the ortho-position. It is an acyl chloride and a member of monochlorobenzenes. It is functionally related to a 2-chlorobenzoic acid.

名称と識別子

優先名称
2-Chlorobenzoyl chloride
IUPAC
2-chlorobenzoyl chloride
現地名
2-クロロベンゾイルクロリド
英語名
2-Chlorobenzoyl chloride
分子式
C7H4Cl2O
分子量
175.01

名称と別名

2-Chlorobenzoyl chloride609-65-4Benzoyl chloride, 2-chloro-o-Chlorobenzoyl chlorideBenzoyl chloride, o-chloro-JR29A4N74XNSC-93897DTXSID9060572CHEBI:60719RefChem:470389DTXCID0042905210-194-0
名称をさらに表示
2-クロロベンゾイルクロリド2-クロロベンゼンカルボニルクロリドo-クロロベンゾイルクロリド2-クロロ安息香酸クロリド2-クロロベンゾイル=クロリド2-クロロベンゾイルクロライド塩化2-クロロベンゾイル2‐クロロベンゾイルクロリド2-クロロベンゾイル クロリドOCOCo-ChLSKL750orobenzoyLo-Chlorobenzoylchlorchlorobenzoylchlorideo-Chlorbenzoylchlorido-ChlorobenzoylchloridLABOTEST-BB LTBB000568
Chlorobenzoyl chlorideo-chlorobenzoylchloride2-chloro-benzoyl chlorideMFCD000006601321-03-5NSC 93897; o-Chlorobenzoyl Chloride2-chlorobenzoylchlorideEINECS 210-194-0

データベース識別子

CAS
1321-03-5、609-65-4
PubChem CID
69110
DTXSID
DTXSID9060572
ChEBI
CHEBI:60719
UNII
JR29A4N74X
EC Number
210-194-0
Nikkaji
J28.751B

物性

構造計算による物性

XLogP
3
極性表面積
17.1 Ų
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
1
重原子数
10

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid with an acrid odor; [Alfa Aesar MSDS]

物理化学的性質

融点
-4 · -4--3 °C (lit.)
沸点
238 °C · 238 °C (lit.)
比重(密度)
1.382 g/mL · 1.382 g/mL at 25 °C (lit.)
蒸気圧
0.1 hPa · 0.1 hPa (20 °C)
屈折率
20 · n20/D 1.572(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性clear colourless to very slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoyl chloride, 2-chloro-

Status: Active Update: 28-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23948

2-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzoyl chloride.
Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
19-21
wgk
1
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
毒性
LD50 orally in Rabbit: 3250 mg/kg
hs_code
29163900

化学と産業

用途と製造

General Manufacturing InformationBenzoyl chloride, 2-chloro-: ACTIVE
応用分野 · 2 件

使用2-Chlorobenzoyl chloride, is used in organic synthesis. It is used as a pharmaceutical intermediate for eg as an intermediate of clotrimazolc, preparation of p-chlorobenzoic acid and production of trichloro-acaricide.

一般的な説明2-Chlorobenzoyl chloride reacts with aromatic amines and ammonium thiocyanate using polyethylene glycol-400 as the catalyst under the condition of solid-liquid phase-transfer catalysis to form N-aryl-N′(2-chlorobenzoyl) thioureas. 2-Chlorobenzoyl chloride causes the acylation of polystyrene during the preparation and regeneration of the polystyrene-based resin.

上流・下流製品情報

下流製品

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

補足説明

定義ChEBI: An acyl chloride consisting of benzoyl chloride having a chloro substituent in the ortho-position.

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