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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 108
실험 및 물리화학적 성질
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
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1 g/L · 1g/L
- 산도 계수 (pKa)
- 13.6 · 13.60±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- 수용성
- 물, 메탄올, 클로로포름에 용해됩니다.
- Merck
- 14 · 14,3060
- BRN
- 1448652 · 1448652
- 화장품 원료 기능
- 항균 방부제항균
- InChI
- 1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
- InChIKey
- DBHODFSFBXJZNY-UHFFFAOYSA-N
- SMILES
- OCc1ccc(Cl)cc1Cl
- LogP
- 2.8 at · 2.8 at 24℃
- EPA
- 2 · 2,4-Dichlorobenzenemethanol (1777-82-8)
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
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
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
규제 정보
Regulatory Information
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
- safety_code
- 24/25
- 기존화학 물질
- KE-10077
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Eye Dam. 1
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
약리 정보
ATC Code
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
Pharmacodynamics
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
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.
Absorption, Distribution and Excretion
Dichlorobenzyl alcohol is released almost immediately from its formulation and reaches peak concentration after 3-4 minutes. The concentration in saliva after 120 minutes represents about 50% of the administered dose.
In preclinical trials, dermal administration of dichlorobenzyl alcohol results in renal elimination of 90% of the administered dose. After metabolism, dichlorobenzyl alcohol is excreted in the urine.
This pharmacokinetic property has not been fully studied.
This pharmacokinetic property has not been fully studied.
용도 및 제조
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.
상·하류 제품 정보
하류 제품
공급사50 곳
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
연결된 노트
불러오는 중…