4-Chlorobenzoyl chloride (HCID 8501)

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 chlorideDTXSID40516198UQ7JCV2YPEINECS 204-515-3Benzoyl chloride, p-chloro-CCRIS 8935AI3-14889

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

DTXCID9030171CHEBI:60716EC 204-515-3pChlorobenzoylchloridpChlorobenzoyl 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

XLogP: 3.6
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: 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

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)
水溶解度: 水と反応する。アルコールと反応する。
凝固点: 12 · 12~14℃
BRN: 471606 · 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: 2.52 at · 2.52 at 25℃
CAS データベース: 122 · 122-01-0(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Chlorobenzoic acid chloride(122-01-0)
EPAの化学物質情報: 4 · Benzoyl chloride, 4-chloro- (122-01-0)

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (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 exposure; Respiratory 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

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoyl chloride, 4-chloro-

Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5601

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

Hazards Summary · 1 件

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%)；Eye Dam. 1 (60.5%)；STOT SE 3 (33.8%)

毒性情報

Adverse Effects · 1 件

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.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 3 件

Chemical: Benzoyl chloride, 4-chloro-

Status: Active Update: 23-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5601

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

安全データ

F: 10-19-21
wgk: 1
tsca: TSCA listed
rtecs: DM6635510
ridadr: UN 3265 8/PG 2
hs_code: 29163900
risk_code: 34-36/37
化審法: (3)-62, (3)-1409
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45-28A
hazard_class: 8
packing_group: II
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

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 · 3 件

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.