2,4-디클로로벤질 알코올

2,4-Dichlorobenzyl alcohol

HCID 15684CAS 12041-76-8

기본 정보

표준 SMILES
OCc1ccc(Cl)cc1Cl
InChIKey
DBHODFSFBXJZNY-UHFFFAOYSA-N
분자식
C7H6Cl2O
평균 분자량
177.02 g/mol
단동위원소 질량
175.9795702

이름 및 식별자

우선 이름
2,4-Dichlorobenzyl alcohol
IUPAC
(2,4-dichlorophenyl)methanol
현지명
2,4-디클로로벤질 알코올
영어명
2,4-Dichlorobenzyl alcohol
분자식
C7H6Cl2O
분자량
177.03

이름 및 동의어

2,4-Dichlorobenzyl alcohol1777-82-8(2,4-Dichlorophenyl)methanolDybenalDichlorobenzyl alcoholRapidosept2,4-DichlorobenzenemethanolBenzyl alcohol, 2,4-dichloro-NSC-15635DTXSID9041362CHEBI:482201NKX3648J9
이름 더 보기
2,4-디클로로벤질알코올2,4-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.5
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
55 · 55-58 °C(lit.)
끓는 점
150 °C · 150 °C (25 mmHg)
밀도
1.297 · 1.2970 (rough estimate)
증기압
0.154 Pa · 0.154Pa at 25℃
굴절률
1.5756 · 1.5756 (estimate)
인화점
230 °F · >230 °F

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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%)

규제 정보

Regulatory Information · 3건

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

안전 데이터

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

화학 및 산업

약리 정보

ATC Code · 2건

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 · 1건

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 · 1건

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.

용도 및 제조

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

응용 분야

용도2,4-Dichlorobenzyl alcohol is an antiseptic found in commercially available throat lozenges. Also used deactivate Respiratory syncytial virus and SARS-Cov.

일반 설명2,4-Dichlorobenzyl alcohol is a constituent of commercially available lozenges for acute sore throat caused by upper respiratory tract infections.

공급사50 곳

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]

추가 설명

정의ChEBI: 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.

관련 반응

25건

연결된 노트

불러오는 중…

2,4-Dichlorobenzyl alcohol (HCID 15684)|Huagongshe