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2,3,6-TRIFLUOROPHENOL

2,3,6-TRIFLUOROPHENOL structure

CAS No:
113798-74-6
Formula:
C6H3F3O
Chemical Name:
2,3,6-TRIFLUOROPHENOL
Synonyms:
Phenol, 2,3,6-trifluoro- (9CI);2,3,6-Trifluorophenol 98%;2,3,6-Trifluorophenol98%;2,3,6-TRIFLUOROPHENOL
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

clear light yellow liquid after melting

2,3,6-TRIFLUOROPHENOL Basic Attributes

Molecular Weight：

148.08

Exact Mass：

148.01400

BRN：

4976927

DSSTox ID：

DTXSID00333764

HScode：

29081000

Characteristics

PSA：

20.2

XLogP3：

1.9

Density：

1.456 g/cm

Melting Point：

33-37 °C(lit.)

Boiling Point：

137.0±35.0 °C(Predicted)

Flash Point：

147 °F

Refractive Index：

1.471

Water Solubility：

Soluble in water (47.267 mg/L est.)

Safety Information

Packing level：

III

Hazard category：

4.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39-36

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P210-P261-P280-P305 + P351 + P338

Hazard Statements：

H228-H302-H312-H315-H319-H332-H335

GHS Classification：

|Warning|H228 (88.89%): Flammable solid [Danger Flammable solids]|P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 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:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,3,6-Trifluorophenol

CAS No.: 113798-74-6

Content: 99.00%

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