CAS 34145-05-6 2,5-Dichlorobenzylic alcohol (HCID 118604)

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Basic information

CAS: 34145-05-6
Standard SMILES: OCc1cc(Cl)ccc1Cl
InChIKey: LCEIGNVIDJNUGF-UHFFFAOYSA-N
Molecular formula: C7H6Cl2O
Average molar mass: 177.02 g/mol
Monoisotopic mass: 175.97957017

Names & identifiers

Preferred name: 2,5-Dichlorobenzylic alcohol
IUPAC: (2,5-dichlorophenyl)methanol
English name: 2,5-DICHLOROBENZYL ALCOHOL
Molecular formula: C7H6Cl2O
Molecular weight: 177.02

Names & synonyms

Benzenemethanol, 2,5-dichloro-2,5-Dichlorobenzylic alcoholEINECS 251-850-6DTXSID60187745RefChem:444337DTXCID20110236251-850-6(2,5-dichlorophenyl)methanol34145-05-62,5-Dichlorobenzyl alcoholMFCD000046072,5-Dichlorobenzenemethanol

Show more names

RARECHEM AL BD 0427Miconazole impurity 1Miconazole Impurity 9Miconazole Impurity 152,5-Dichlorobenzylalcohol,99%2,5-DICHLOROBENZYL ALCOHOL 99%

2,5-dichlorobenzylalcohol2.5-Dichlorobenzyl alcohol2,5-dichloro-benzyl alcoholSCHEMBL92968SCHEMBL1047523SCHEMBL8882022CHEMBL2323840SCHEMBL16961854

Database identifiers

CAS: 34145-05-6
PubChem CID: 118604
DTXSID: DTXSID60187745
ChEMBL: CHEMBL2323840
UNII: QG5983X4A6
EC Number: 251-850-6
Nikkaji: J3.807E

Properties

Computed structural properties

XLogP: 1.9
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: 108

Physicochemical properties

Melting point: 79 · 79-80 °C (lit.)
Boiling point: 266 ℃ · 266℃
Density: 1.392 · 1.392
refractive index: 1.557 · 1.5570 (estimate)
Flash point: 114 ℃ · 114℃
storage temp.: 2 · 2-8°C
form: powder
pka: 13.69 · 13.69±0.10(Predicted)
Appearance: Off-white to light yellow Solid
BRN: 3240770 · 3240770
InChI: InChI=1S/C7H6Cl2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey: LCEIGNVIDJNUGF-UHFFFAOYSA-N
SMILES: C1C(CO)=C(Cl)C=CC=1Cl
CAS DataBase Reference: 34145 · 34145-05-6(CAS DataBase Reference)
FDA UNII: 5983 X4A6 · QG5983X4A6
UNSPSC Code: 41116107 · 41116107

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenemethanol, 2,5-dichloro-

Benzenemethanol, 2,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2906290090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P280g-P305+P351+P338

Chemistry & industry

Applications

Uses2,4-Dichlorobenzyl alcohol impurity A EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.

General Description2,5-Dichlorobenzyl alcohol participates in [Ru(acac)2(CH3CN)2]PF6 (acac = acetylacetone) catalyzed oxidation of alcohols to aldehydes or ketones using H5IO6 as oxidant.