4-クロロベンゾイルクロリド
4-Chlorobenzoyl chloride
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
122-01-0- 標準SMILES
O=C(Cl)c1ccc(Cl)cc1- InChIKey
RKIDDEGICSMIJA-UHFFFAOYSA-N- 分子式
- C7H4Cl2O
- 平均分子量
- 175.01 g/mol
- 単同位体質量
- 173.9639201
概要
4-chlorobenzoyl chloride is an acyl chloride consisting of benzoyl chloride having a chloro substituent in the para-position. It is an acyl chloride and a member of monochlorobenzenes. It is functionally related to a 4-chlorobenzoic acid.
名称と識別子
- 優先名称
- 4-Chlorobenzoyl chloride
- IUPAC
- 4-chlorobenzoyl chloride
- 現地名
- 4-クロロベンゾイルクロリド
- 英語名
- 4-Chlorobenzoyl chloride
- 分子式
- C7H4Cl2O
- 分子量
- 175.01
名称と別名
4-CHLOROBENZOYL CHLORIDE122-01-0Benzoyl chloride, 4-chloro-p-Chlorobenzoyl chloridepara-Chlorobenzoyl chloride4-Chlorobenzoic acid chlorideBenzoyl chloride, p-chloro-DTXSID40516198UQ7JCV2YPEINECS 204-515-3pChlorobenzoylchloridCCRIS 8935
名称をさらに表示
4-クロロベンゾイルクロリド4-クロロ安息香酸クロリドp-クロロベンゾイルクロリド4-クロロベンゾイルクロライドpクロロベンゾイルクロライド塩化4-クロロベンゾイルｐクロロベンゾイル＝クロリドP-クロロベンゾイルクロライド4‐クロロベンゾイルクロリドP-クロロベンゾイル=クロリドPCOCSKL7554-Chlorobenzoyl4-Chlorobenzoyl chloChloride to chlorine4-ChlorbenzoylchloridIndapamide Impurity ELABOTEST-BB LTBB0005694-chloro-benzoylchlorid
AI3-14889DTXCID9030171CHEBI:60716EC 204-515-3pChlorobenzoyl chlorideRefChem:98557Benzoyl chloride, 4chloro204-515-3
データベース識別子
- CAS
122-01-0- PubChem CID
- 8501
- DTXSID
DTXSID4051619- ChEBI
CHEBI:60716- UNII
- 8UQ7JCV2YP
- EC Number
- 204-515-3
- Nikkaji
- J95.365B
物性
構造計算による物性補完中
- XLogP
- 3.6
- 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
- 形式電荷
- 0
- 複雑度
- 128
実験および物理化学的性質
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.05 [mmHg]
Physical DescriptionClear colorless liquid; mp = 12-14 deg C; [Acros Organics MSDS]
物理化学的性質
- 融点
- 11 · 11-14 °C (lit.)
- 沸点
- 102 · 102-104 °C/11 mmHg (lit.)
- 比重(密度)
- 1.365 g/mL · 1.365 g/mL at 20 °C (lit.)
- 蒸気圧
- 5.8 · 5.8-73.9Pa at 20-50℃
- 屈折率
- 20 · n20/D 1.578(lit.)
- 闪点
- 221 °F · 221 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- soluble in Chloroform, DMSO
- 外見
- 液体
- 色
- 無色透明～微有色
- 爆発限界(explosive limit)
- 1.5 · 1.5-15%(V)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/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 157 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Not Classified
危険有害性情報
Regulatory Information
Chemical: Benzoyl chloride, 4-chloro-
REACH registered substance: 4-chlorobenzoyl chloride (EC: 204-515-3)
4-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes irritant dermatitis and allergic anaphylaxis (multiple organ involvement) in 12-week intermittent intravenous studies of guinea pigs; [RTECS] A skin and eye irritant; May cause skin sensitization; [ECHA REACH Registrations] Hydrolyzed by water producing fumes and aqueous hydrogen chloride; Causes burns and lachrymation; Inhalation may cause corrosive injuries to respiratory tract; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (99.4%)
毒性情報
Adverse EffectsDermatotoxin - Skin burns.
安全データ
- F
- 10-19-21
- wgk
- 1
化学と産業
用途と製造
UsesUsed to make fine chemicals; [ECHA REACH Registrations]
General Manufacturing InformationBenzoyl chloride, 4-chloro-: ACTIVE
応用分野
用途医薬?農薬中間体
使用4-Chlorobenzoyl chloride was used to synthesize 4-chlorobenzoyl CoA by reacting it with CoA in KHCO3 buffer. 4-Chlorobenzoyl chloride may be used in the following studies Acylation of benzene using different solid acid catalysts such as dodecatungstophosphoric acid (DTPA), DTPA/K-10 clay, K-10, Amberlite, Amberlyst-15, Indion-130, Filtrol-24 clay and sulfated zirconia, Preparation of 1-(4-chlorobenzoyl)-2, 7-dimethoxynaphthalene, Preparation of 4-chlorobenzoyl CoA, via reaction with CoA in KHCO3 buffer, Preparation of 1-aryloxyacetyl-4-(4-chlorobenzoyl)-semicarbazides.
一般的な説明4-Chlorobenzoyl chloride is an acyl chloride. It reacts with 2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinane to yield the respective N-acyl selenophosphoramides.
上流・下流製品情報
上流原料
下流製品
関連反応
924 件
化合物ノート
読み込み中…