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3,4,5-Trifluorophenol

3,4,5-Trifluorophenol structure

CAS No:
99627-05-1
Formula:
C6H3F3O
Chemical Name:
3,4,5-Trifluorophenol
Synonyms:
Phenol,3,4,5-trifluoro-;3,4,5-Trifluorophenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to light yellow crystal powder

3,4,5-Trifluorophenol Basic Attributes

Molecular Weight：

148.08

Exact Mass：

148.08

BRN：

8830884

EC Number：

436-160-7

DSSTox ID：

DTXSID00380718

HScode：

29081000

Characteristics

PSA：

20.2

XLogP3：

Appearance：

Colorless to pale yellow Crystals or Low Melting Solid

Density：

1.5±0.1 g/cm3

Melting Point：

52-55 °C

Boiling Point：

177°C

Flash Point：

177°C

Refractive Index：

1.472

Water Solubility：

104g/l OECD Test Guideline 105

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

22-34-51/53-36/37/38-25

safety instructions：

26-36/37/39-45-60-36-61

Marks：

C,N,Xi,T

Hazard note：

Irritant

Precautionary statement(s)：

P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P501

Hazard Statements：

H301-H314-H411

GHS Classification：

|Danger|H301 (33.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301 (93.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P391, 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.

Drug Information

MeSH Entry Terms：

3,4,5-trifluorophenol

3,4,5-Trifluorophenol Use and Manufacturing

Pharmaceutical raw materials.

Computed Properties

Molecular Weight:148.08
XLogP3:2
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

Material

Tetrahydrofuran

Trimethyl borate

Ethyl acetate

Acetic acid

Hydrochloric acid

Hydrogen peroxide

Sodium sulfite

PETROLEUM ETHER

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