CAS 60211-57-6 3,5-Dichlorobenzylic alcohol (HCID 43236)

Overview

(3,5-Dichlorophenyl)methanol is a dichlorobenzene.

Names & identifiers

Preferred name: 3,5-Dichlorobenzylic alcohol
IUPAC: (3,5-dichlorophenyl)methanol
English name: 3,5-Dichlorobenzyl alcohol
Molecular formula: C7H6Cl2O
Molecular weight: 177.03

Names & synonyms

3,5-DICHLOROBENZYL ALCOHOL60211-57-63,5-Dichlorobenzylic alcoholEINECS 262-109-1DTXSID10208959RefChem:486759DTXCID10131450262-109-1(3,5-Dichlorophenyl)methanolBenzenemethanol, 3,5-dichloro-MFCD000046343,5-Dichlorobenzylalcohol

Show more names

BUTTPARK 154\18-27RARECHEM AL BD 00573,5-Dichlorbenzylalkohol3,5-DICHOLORBENZYLALCOHOL3,5-Dichlorobenzoyl alcoholNafamostat Mesylate Monomer3, 5-Dichlorobenzyl alcohal

3.5-dichlorobenzyl alcohol(3,5-dichlorophenyl)methan-1-ol3,5-DICHLOROBENZENEMETHANOL3,5-dichlorophenylmethanolBionet2_000905SCHEMBL92904(3,5-Dichlorophenyl)-methanolorb3031510

Database identifiers

CAS: 60211-57-6
PubChem CID: 43236
DTXSID: DTXSID10208959
ChEBI: CHEBI:194743
EC Number: 262-109-1
Nikkaji: J90.093A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.8

Experimental & physicochemical properties

LogP2.9

Physicochemical properties

Melting point: 79 · 79-82 °C (lit.)
Boiling point: 251.88 °C · 251.88°C (rough estimate)
Density: 1.297 · 1.2970 (rough estimate)
refractive index: 1.557 · 1.5570 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: Crystalline Powder
pka: 13.79 · 13.79±0.10(Predicted)
color: White to light yellow
BRN: 1936389 · 1936389
InChI: InChI=1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChIKey: VSNNLLQKDRCKCB-UHFFFAOYSA-N
SMILES: C1(CO)=CC(Cl)=CC(Cl)=C1
CAS DataBase Reference: 60211 · 60211-57-6(CAS DataBase Reference)
NIST Chemistry Reference: 3 · 3,5-Dichlorobenzyl alcohol(60211-57-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 36 · 36/37/39-26-22-24/25
WGK Germany: 3 · 3
HS Code: 29062990 · 29062990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29062990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 36/37/39-26-22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 2 items

Uses3,5-Dichlorobenzyl Alcohol is a useful research chemical.

Uses3,5-Dichlorobenzyl alcohol was used in the preparation of 3,5-dichlorophenylacetonitrile via reaction with boiling SOCl2, followed by reaction with NaCN. It was also used in the synthesis of tert-butyl 2-cyano-3-(3,5-dichlorophenyl)-propanoate via Iridium-catalysed alkylation of tert-butyl cyanoacetate.