2-(2,4,6-Trichlorophenoxy)ethan-1-ol

HCID 96343

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Basic information

CAS: 6161-87-1
Standard SMILES: OCCOc1c(Cl)cc(Cl)cc1Cl
InChIKey: LZTZSANFAWWCRW-UHFFFAOYSA-N
Molecular formula: C8H7Cl3O2
Average molar mass: 241.5 g/mol
Monoisotopic mass: 239.9511625

Names & identifiers

Preferred name: 2-(2,4,6-Trichlorophenoxy)ethan-1-ol
IUPAC: 2-(2,4,6-trichlorophenoxy)ethanol
English name: 2-(2,4,6-Trichlorophenoxy)ethanol
Molecular formula: C8H7Cl3O2
Molecular weight: 241.5

Names & synonyms

2-(2,4,6-trichlorophenoxy)ethan-1-olRefChem:451865985-258-02-(2,4,6-Trichlorophenoxy)ethanol6161-87-1MFCD02231270C8H7Cl3O2Ethanol, 2-(2,4,6-trichlorophenoxy)-NSC68796AI3-09182NCIOpen2_003446Oprea1_163213

Show more names

FREE SAMPLE NCV 2-(2,4,6-TRICHLOROPHENOXY) ETHYL CHLORIDE)

Oprea1_433452SCHEMBL9349699DTXSID502106322-(246-Trichlorophenoxy)ethanolLZTZSANFAWWCRW-UHFFFAOYSA-NGAA16187NSC 68796NSC-68796

Database identifiers

CAS: 6161-87-1
PubChem CID: 96343
DTXSID: DTXSID50210632
EC Number: 985-258-0
Nikkaji: J438.400H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 77 °C · 77 °C
Boiling point: 142 · 142-145 °C(Press: 1 Torr)
Density: 1.478 · 1.478±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.03 · 14.03±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.