2,4,6-Trichlorobenzyl alcohol

HCID 4582574

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Grundinformationen

CAS: 217479-60-2
Standard-SMILES: OCc1c(Cl)cc(Cl)cc1Cl
InChIKey: WKJWKKDGJLKFER-UHFFFAOYSA-N
Summenformel: C7H5Cl3O
Durchschnittliche Molmasse: 211,5 g/mol
Monoisotopische Masse: 209,940598

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Trichlorobenzyl alcohol
IUPAC: (2,4,6-trichlorophenyl)methanol
Englischer Name: 2 4 6-Trichlorobenzyl alcohol 97
Summenformel: C7H5Cl3O
Molmasse: 211.47

Namen und Synonyme

2,4,6-Trichlorobenzyl alcohol217479-60-2DTXSID10404510RefChem:82098DTXCID40355364626-325-3WKJWKKDGJLKFER-UHFFFAOYSA-N(2,4,6-trichlorophenyl)methanolMFCD030938912,4,6-trichlorobenzylalcoholBenzenemethanol, 2,4,6-trichloro-CL8689

Weitere Namen anzeigen

2 4 6-Trichlorobenzyl alcohol 97

2,4,6-Trichlorobenzyl alcohol, 97%DS-1059SY107273EN300-1073540ghl.PD_Mitscher_leg0.514ghl.PD_FT-0720508246-Trichlorobenzyl alcohol

Datenbank-Bezeichner

CAS: 217479-60-2
PubChem CID: 4582574
DTXSID: DTXSID10404510
EC Number: 626-325-3
Nikkaji: J2.173.306G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Schmelzpunkt: 98 · 98-101 °C (lit.)
Siedepunkt: 299.4 · 299.4±35.0 °C(Predicted)
Dichte: 1.52 · 1.520±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.18 · 13.18±0.10(Predicted)
InChI: 1S/C7H5Cl3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
InChIKey: WKJWKKDGJLKFER-UHFFFAOYSA-N
SMILES: OCc1c(Cl)cc(Cl)cc1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4,6-Trichlorobenzyl Alcohol is an intermediate in the synthesis of 1,3,5-Trichloro-2-methylbenzene (T774363). 1,3,5-Trichloro-2-methylbenzene can be used as reactant/reagent in hydrodechlorination process and catalysts for the production of 2,6-dichlorotoluene from polychlorotoluene-containing mixtures. Also, it is derived from 2,4,6-Trichlorobenzoic Acid (T774715), which is a possible degradation intermediate of Polychlorinated Biphenyls (PCBs) in contaminated soil, suggesting the occurrence of microbial transformation processes over time.