4-クロロベンゾイルクロリド

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

https://huagongshe.com/ja/chemical/8501

識別子と物理属性

CAS No.	122-01-0
分子式	C7H4Cl2O
平均分子量	175.01 g/mol
単同位体質量	173.9639201 g/mol
SMILES	O=C(Cl)c1ccc(Cl)cc1
InChIKey	RKIDDEGICSMIJA-UHFFFAOYSA-N
PubChem CID	8501
ChEBI	CHEBI:60716
EC No.	204-515-3
DTXSID	DTXSID4051619
現地名	4-クロロベンゾイルクロリド

化学・物理的性質

XLogP	3.6
極性表面積	17.1
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
蒸気圧	0.05 [mmHg]5.8-73.9Pa at 20-50℃
Physical Description	Clear colorless liquidmp = 12-14 deg C[Acros Organics MSDS]
融点	11-14 °C (lit.)
沸点	102-104 °C/11 mmHg (lit.)
密度	1.365 g/mL at 20 °C (lit.)
屈折率	n20/D 1.578(lit.)
引火点	221 °F
貯蔵条件	Store below +30°C.
溶解度	soluble in Chloroform, DMSO水と反応する。アルコールと反応する。
外観・状態	液体
色	無色透明～微有色
爆発限界	1.5-15%(V)
凝固点	12~14℃
BRN	471606
安定性	安定。湿気に敏感。強力な酸化剤とは相容れない。
InChI	1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey	RKIDDEGICSMIJA-UHFFFAOYSA-N
SMILES	ClC(=O)c1ccc(Cl)cc1
LogP（分配係数）	2.52 at 25℃
CAS データベース	122-01-0(CAS DataBase Reference)
NISTの化学物質情報	4-Chlorobenzoic acid chloride(122-01-0)
EPAの化学物質情報	Benzoyl chloride, 4-chloro- (122-01-0)

化学的特性

liquid

安全性と法規制

GHS 分類	DangerH314 (99.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (60.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (33.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 157 reports by companies from 13 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.Not Classified
規制情報	Chemical: Benzoyl chloride, 4-chloro-Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/56014-Chlorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
有害性の概要	Causes irritant dermatitis and allergic anaphylaxis (multiple organ involvement) in 12-week intermittent intravenous studies of guinea pigs[RTECS] A skin and eye irritantMay cause skin sensitization[ECHA REACH Registrations] Hydrolyzed by water producing fumes and aqueous hydrogen chlorideCauses burns and lachrymationInhalation may cause corrosive injuries to respiratory tract[Acros Organics MSDS]
Hazard Classes and Categories	Skin Corr. 1B (99.4%)Eye Dam. 1 (60.5%)STOT SE 3 (33.8%)
有害作用	Dermatotoxin - Skin burns.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.Skin Sensitizer - An agent that can induce an allergic reaction in the skin.

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.