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Perfluoro-tert-butanol

Perfluoro-tert-butanol structure

CAS No:
2378-02-1
Formula:
C4HF9O
Chemical Name:
Perfluoro-tert-butanol
Synonyms:
2-Propanol,1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)-;1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)-2-propanol;Perfluoro-tert-butanol;Perfluoro-tert-butyl alcohol;2-(Trifluoromethyl)-1,1,1,3,3,3-hexafluoro-2-propanol;Nonafluoro-tert-butanol;Nonafluoro-tert-butyl alcohol;2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethanol;Perfluoro(2-methyl-2-propanol);Perfluoro-t-butanol;Tris(trifluoromethyl)methanol;TBOL;1,1-Bis(trifluoromethyl)-2,2,2-trifluoroethanol;1,1-Di(trifluoromethyl)-2,2,2-trifluoroethanol;1809986-51-3
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear colorless liquid

Perfluoro-tert-butanol Basic Attributes

Molecular Weight：

236.03600

Exact Mass：

236.04

EC Number：

219-157-3

DSSTox ID：

DTXSID5073292

HScode：

2905590090

Characteristics

PSA：

20.23000

XLogP3：

2.40440

Appearance：

clear colorless liquid

Density：

1.693 g/cm³ @ Temp: 20 °C

Melting Point：

-15 °C

Boiling Point：

45 °C

Flash Point：

44-45°C

Refractive Index：

n20/D 1.3(lit.)

Storage Conditions：

Keep Cold

Vapor Pressure：

5.19 psi ( 20 °C)

Safety Information

Transport codes：

UN 2810 6.1/PG 2

wgk germany：

hazard class code：

R20

safety instructions：

S26-S45-S36/37

RTECS Number：

UB6452700

Marks：

Xn,Xi,T

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H332-H335

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

perfluoro-tert-butyl alcohol

Perfluoro-tert-butanol Use and Manufacturing

Use Classification：

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

Computed Properties

Molecular Weight:236.04
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Exact Mass:235.98836811
Monoisotopic Mass:235.98836811
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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