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3,5-Difluorophenol

3,5-Difluorophenol structure

CAS No:
2713-34-0
Formula:
C6H4F2O
Chemical Name:
3,5-Difluorophenol
Synonyms:
Phenol,3,5-difluoro-;3,5-Difluorophenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to beige crystals

3,5-Difluorophenol Basic Attributes

Molecular Weight：

130.09

Exact Mass：

130.09

BRN：

2078616

EC Number：

-0

DSSTox ID：

DTXSID10181596

HScode：

29081000

Characteristics

PSA：

20.2

XLogP3：

1.8

Appearance：

White to beige Crystals

Density：

1.4±0.1 g/cm3

Melting Point：

54.97 °C

Boiling Point：

65-68°C1mm

Flash Point：

159 °F

Refractive Index：

1.496

Water Solubility：

ethanol: soluble 50, clear, colorless to faint yellow or tan (mg/mL)

Storage Conditions：

Flammables area

Vapor Pressure：

1.11E-06mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

20/21/22-36/37/38-34-11

safety instructions：

26-36-45-36/37/39-16

Marks：

Xn,Xi,C,F

Hazard note：

Harmful

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (95.83%): 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 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,5-Difluorophenol Use and Manufacturing

Methods of Manufacturing

With reference to the method described in Example 1, The raw material was changed to 96.5 g (0.5 mol) of 3, 5-difluoro-1-bromobenzene, RaneyNi catalyst, and the temperature was raised to 130 ° C, Nitrogen pressurized to 0.8Mpa the rest of the same conditions, To give 52.6 g of 3, 5-difluorophenol product, Mp 39-41 ° C, yield 80.8percent, content 99.65percent.

Uses

Pharmaceutical and pesticide intermediates.

Computed Properties

Molecular Weight:130.09
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:130.02302107
Monoisotopic Mass:130.02302107
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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