2,4-Dichlorbenzylalkohol
2,4-Dichlorobenzyl alcohol
Grundinformationen
- CAS
12041-76-8- Standard-SMILES
OCc1ccc(Cl)cc1Cl- InChIKey
DBHODFSFBXJZNY-UHFFFAOYSA-N- Summenformel
- C7H6Cl2O
- Durchschnittliche Molmasse
- 177,02 g/mol
- Monoisotopische Masse
- 175,9795702
Überblick
2,4-dichlorobenzyl alcohol is 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.
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dichlorobenzyl alcohol
- IUPAC
- (2,4-dichlorophenyl)methanol
- Lokaler Name
- 2,4-Dichlorbenzylalkohol
- Englischer Name
- 2,4-Dichlorobenzyl alcohol
- Summenformel
- C7H6Cl2O
- Molmasse
- 177.03
Namen und Synonyme
2,4-Dichlorobenzyl alcohol1777-82-8(2,4-Dichlorophenyl)methanolDybenalDichlorobenzyl alcoholRapidosept2,4-DichlorobenzenemethanolBenzyl alcohol, 2,4-dichloro-NSC-15635DTXSID9041362CHEBI:482201NKX3648J9
Weitere Namen anzeigen
2,4-dichloro-benzylalcohobenzylalcohol,2,4-dichloro-4-Dichlorobenzyl alcoholMyacidemyacidespDYBENAL(R)RARECHEM AL BD 00192,4-Dichlorobenzyl a
DTXCID7021362RefChem:133037DTXCID2075346217-210-5DichlorobenzenemethanolDTXSID40152855Myacide SPBenzenemethanol, 2,4-dichloro-
Datenbank-Bezeichner
- CAS
12041-76-8、1777-82-8- PubChem CID
- 15684
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
CosmeticsPreservative
SolubilitySlightly Soluble
Melting Point55-58 ºC
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-58 °C(lit.)
- Siedepunkt
- 150 °C · 150 °C (25 mmHg)
- Dichte
- 1.297 · 1.2970 (rough estimate)
- Dampfdruck
- 0.154 Pa · 0.154Pa at 25℃
- Brechungsindex
- 1.5756 · 1.5756 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 1 g/l · 1g/l
- pka
- 13.6 · 13.60±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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]
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.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenemethanol, 2,4-dichloro-
REACH registered substance: 2,4-dichlorobenzyl alcohol (EC: 217-210-5)
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%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29062900
- RTECS-Nr.
- DO0890000
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,oral,2300mg/kg (2300mg/kg),Cosmetics and Toiletries. Vol. 95(6), Pg. 59, 1980.
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Pharmakologische Informationen
ATC Code
R - Respiratory system
QR - Respiratory system
Protein BindingThis pharmacokinetic property has not been fully studied.
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.
Biological Half-LifeThis pharmacokinetic property has not been fully studied.
Metabolism/MetabolitesDichlorobenzyl alcohol is metabolized in the liver to form hippuric acid.
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.
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