2,4-ジクロロベンジルアルコール

2,4-Dichlorobenzyl alcohol

HCID 15684CAS 12041-76-8

基本情報

標準SMILES
OCc1ccc(Cl)cc1Cl
InChIKey
DBHODFSFBXJZNY-UHFFFAOYSA-N
分子式
C7H6Cl2O
平均分子量
177.02 g/mol
単同位体質量
175.9795702

名称と識別子

優先名称
2,4-Dichlorobenzyl alcohol
IUPAC
(2,4-dichlorophenyl)methanol
現地名
2,4-ジクロロベンジルアルコール
英語名
2,4-Dichlorobenzyl alcohol
分子式
C7H6Cl2O
分子量
177.03

名称と別名

2,4-Dichlorobenzyl alcohol1777-82-8(2,4-Dichlorophenyl)methanolDybenalDichlorobenzyl alcoholRapidosept2,4-DichlorobenzenemethanolBenzyl alcohol, 2,4-dichloro-NSC-15635DTXSID9041362CHEBI:482201NKX3648J9
名称をさらに表示
2,4-ジクロロベンジルアルコールミアシドSPラピドセプト2,4-ジクロロベンゼンメタノールミアシドジベナール2,4-ジクロロベンジルアルコ-ル2,4-ジクロロベンジルアルコール, 99%(2,4-ジクロロフェニル)メタノール2,4-dichloro-benzylalcohobenzylalcohol,2,4-dichloro-4-Dichlorobenzyl alcoholMyacidemyacidespDYBENAL(R)RARECHEM AL BD 00192,4-Dichlorobenzyl a
DTXCID7021362RefChem:133037DTXCID2075346217-210-5DichlorobenzenemethanolDTXSID40152855Benzenemethanol, 2,4-dichloro-Myacide SP

データベース識別子

CAS
12041-76-8、1777-82-8
PubChem CID
15684
DTXSID
DTXSID9041362
ChEMBL
CHEMBL3184437
ChEBI
CHEBI:48220
UNII
1NKX3648J9
EC Number
217-210-5
Nikkaji
J28.521H

物性

構造計算による物性

XLogP
2.5
極性表面積
20.2 Ų
水素結合供与体数
1
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

LogP2.36
SolubilitySlightly Soluble
Boiling Point150
Melting Point55-58 ºC

物理化学的性質

融点
55 · 55-58 °C(lit.)
沸点
150 °C · 150 °C (25 mmHg)
比重(密度)
1.297 · 1.2970 (rough estimate)
蒸気圧
0.154 Pa · 0.154Pa at 25℃
屈折率
1.5756 · 1.5756 (estimate)
闪点
230 °F · >230 °F

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.2% (1 of 400) of reports.

Danger

H318 (31.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (28.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H412 (96.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P271, P273, P280, P304+P340, P305+P354+P338, P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 400 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 400 reports by companies.;There are 9 notifications provided by 399 of 400 reports by companies with hazard statement code(s).;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

Regulatory Information · 3 件

Chemical: Benzenemethanol, 2,4-dichloro-

Status: Active Update: 13-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23988

2,4-Dichlorobenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenemethanol, 2,4-dichloro-: Human health tier I assessment
Hazard Classes and CategoriesEye Dam. 1 (31.2%);Acute Tox. 4 (28.7%);Aquatic Chronic 3 (96.8%)

法規制情報

Regulatory Information · 3 件

Chemical: Benzenemethanol, 2,4-dichloro-

Status: Active Update: 13-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23988

2,4-Dichlorobenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
2
rtecs
DO0890000
毒性
mouse,LD50,oral,2300mg/kg (2300mg/kg),Cosmetics and Toiletries. Vol. 95(6), Pg. 59, 1980.
hs_code
29062900
risk_code
36/37/38
hazard_code
Xi

化学と産業

薬理情報

ATC Code · 2 件

R - Respiratory system;R02 - Throat preparations;R02A - Throat preparations;R02AA - Antiseptics;R02AA03 - Dichlorobenzyl alcohol

QR - Respiratory system;QR02 - Throat preparations;QR02A - Throat preparations;QR02AA - Antiseptics;QR02AA03 - Dichlorobenzyl alcohol

Protein BindingThis pharmacokinetic property has not been fully studied.
Pharmacodynamics · 1 件

In vitro studies with the combination of dichlorobenzyl alcohol and amylmetacresol have shown a virucidal against a number of viruses associated with the common cold which is observed by a reduction in the viral load. In clinical trials, administration of dichlorobenzyl alcohol lozenges has been shown to generate a reduced throat soreness and to provide pain relief and relief from difficulty in swallowing 5 minutes after administration. This effect can last for even 2 hours. The relief effect was shown to reach a steady-state after 45 minutes.

Mechanism of Action · 1 件

The use of dichlorobenzyl alcohol has been related to its antibacterial, antiviral and local anesthetic properties. The local anesthetic action of dichlorobenzyl alcohol is thought to be due to a reduced sodium channel blockade. The antiseptic mechanism of action of dichlorobenzyl alcohol is not fully understood but it is thought to be related to a denaturation of external proteins and rearrangement of the tertiary structure proteins.

Biological Half-LifeThis pharmacokinetic property has not been fully studied.
Metabolism/MetabolitesDichlorobenzyl alcohol is metabolized in the liver to form hippuric acid.

用途と製造

UsesUse (kg; approx.) in Germany (2009): >100;Consumption (g per capita; approx.) in Germany (2009): 0.00122;Calculated removal (%): 24.1
Household ProductsInformation on 1 consumer products that contain Dichlorobenzyl Alcohol in the following categories is provided:;• Personal Care
Use ClassificationCosmetics -> Preservative
応用分野 · 3 件

用途有機合成原料。

使用2,4-Dichlorobenzyl alcohol is an antiseptic found in commercially available throat lozenges. Also used deactivate Respiratory syncytial virus and SARS-Cov.

一般的な説明2,4-Dichlorobenzyl alcohol is a constituent of commercially available lozenges for acute sore throat caused by upper respiratory tract infections.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
兰州大圆新材料科技有限公司13992067598 · [email protected]

補足説明

定義ChEBI: A member of the class of benzyl alcohols that is benzyl alcohol in which the hydrogens at positions 2 and 4 are replaced by chlorines. It has a role as an antiseptic drug. It is a member of benzyl alcohols and a dichlorobenzene.

関連反応

25 件

関連ノート

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