2,4-Dichloro-alpha-(chloromethyl)benzenemethanol

HCID 94351

Notes Reactions

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Basic information

CAS: 13692-14-3
Standard SMILES: OC(CCl)c1ccc(Cl)cc1Cl
InChIKey: XHEPANNURIQWRM-UHFFFAOYSA-N
Molecular formula: C8H7Cl3O
Average molar mass: 225.5 g/mol
Monoisotopic mass: 223.95624788

Names & identifiers

Preferred name: 2,4-Dichloro-alpha-(chloromethyl)benzenemethanol
IUPAC: 2-chloro-1-(2,4-dichlorophenyl)ethanol
English name: ALPHA-(CHLOROMETHYL)-2,4-DICHLOROBENZYL ALCOHOL
Molecular formula: C8H7Cl3O
Molecular weight: 225.5

Names & synonyms

13692-14-3alpha-(Chloromethyl)-2,4-dichlorobenzyl alcoholRefChem:4433802,4-Dichloro-alpha-(chloromethyl)benzenemethanol237-206-72-Chloro-1-(2,4-dichlorophenyl)ethanol2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol2,4-Dichloro-alpha-(chloromethyl)benzyl alcoholMFCD00000950Benzyl alcohol, 2,4-dichloro-.alpha.-(chloromethyl)-2-Chloro-1-(24-dichlorophenyl)ethanola-(chloromethyl)-2,4-dichlorobenzyl alcohol

Show more names

IsocozoleImpurity6Sulconazle Impurity 6alpha-(Chloromethyl)-2Isoconazole Impurity 6Isoconazole Impurity 3Luliconazole Impurity 232,4-Dichloro-chloromethylbenzenemethanol-(Chloromethyl)-2,4-dichlorobenzylalcohol

Benzenemethanol, 2,4-dichloro-.alpha.-(chloromethyl)-Isoconazole Impurity 5benzenemethano2,4-Dichloro-a-(chloromethyl)benzyl Alcohol; 2,4-Dichloro-a-chloromethylbenzenemethanol; 2-Chloro-1-(2,4-dichlorophenyl)ethanolEINECS 237-206-71-(2',4'-dichlorophenyl)-2-chloro-ethanolSCHEMBL3124491SCHEMBL29481560

Database identifiers

CAS: 13692-14-3
PubChem CID: 94351
DTXSID: DTXSID00929580
EC Number: 237-206-7
Nikkaji: J266.768A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 48 · 48-52 °C
Boiling point: 323.04 °C · 323.04°C (rough estimate)
Density: 1.425 · 1.4250 (rough estimate)
refractive index: 1.551 · 1.5510 (estimate)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly, Sonicated), Methanol (Slightly)
pka: 12.45 · 12.45±0.20(Predicted)
form: Solid
color: White to Pale Yellow
CAS DataBase Reference: 13692 · 13692-14-3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety Statements: 24 · 24/25
HS Code: 29062900 · 29062900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

hs_code: 29062900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Usesα-(Chloromethyl)-2,4-dichlorobenzyl alcohol is used in the synthesis of monocyclic nitroimidazole analogs of econazole. Isoconazole Impurity 6.