CAS 72912-49-3 2-(2,3,6-Trifluorophenoxy)ethanol (HCID 2777944)

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Basic information

CAS: 72912-49-3
Standard SMILES: OCCOc1c(F)ccc(F)c1F
InChIKey: KMYSVQOMALEHHV-UHFFFAOYSA-N
Molecular formula: C8H7F3O2
Average molar mass: 192.13 g/mol
Monoisotopic mass: 192.03981412

Names & identifiers

Preferred name: 2-(2,3,6-Trifluorophenoxy)ethanol
IUPAC: 2-(2,3,6-trifluorophenoxy)ethanol
English name: 2-(2,3,6-TRIFLUOROPHENOXY)ETHANOL
Molecular formula: C8H7F3O2
Molecular weight: 192.14

Names & synonyms

2-(2,3,6-Trifluorophenoxy)ethanol72912-49-3DTXSID60380719RefChem:250047DTXCID40331744620-872-12-(2,3,6-trifluorophenoxy)ethan-1-olMFCD00134279SCHEMBL53904312-(236-Trifluorophenoxy)ethanolKMYSVQOMALEHHV-UHFFFAOYSA-NSBB091374

Show more names

Ethanol, 2-(2,3,6-trifluorophenoxy)-2-(2 3 6-TRIFLUOROPHENOXY)ETHANOL 98%

2-(2,3,6-trifluorophenoxy) ethanolAKOS006228788SB83886PS-10109DB-055695CS-0319485ST51038221H54268

Database identifiers

CAS: 72912-49-3
PubChem CID: 2777944
DTXSID: DTXSID60380719
EC Number: 620-872-1

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 156

Physicochemical properties

Boiling point: 134 · 134-136 °C30 mm Hg(lit.)
Density: 1.381 g/mL · 1.381 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.472(lit.)
Flash point: 230 °F · >230 °F
pka: 13.93 · 13.93±0.10(Predicted)
CAS DataBase Reference: 72912 · 72912-49-3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2909498090 · 2909498090

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 38 reports by companies from 1 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

wgk: 3
hs_code: 2909498090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362