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2,4,6-Trifluorophenol

2,4,6-Trifluorophenol structure

CAS No:
2268-17-9
Formula:
C6H3F3O
Chemical Name:
2,4,6-Trifluorophenol
Synonyms:
Phenol,2,4,6-trifluoro-;2,4,6-Trifluorophenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to light yellow crystal powder

2,4,6-Trifluorophenol Basic Attributes

Molecular Weight：

148.08

Exact Mass：

148.08

BRN：

2089551

DSSTox ID：

DTXSID00334211

HScode：

29081000

Characteristics

PSA：

20.2

XLogP3：

2.34

Appearance：

white to light yellow crystal powder

Density：

1.5±0.1 g/cm3

Melting Point：

49-51 °C(lit.)

Boiling Point：

128.1±35.0 °C at 760 mmHg

Flash Point：

55.1±20.4 °C

Refractive Index：

1.472

Vapor Pressure：

8.89mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

1325

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-37/39

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:148.08
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:148.01359920
Monoisotopic Mass:148.01359920
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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