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Pentafluorophenol

Pentafluorophenol structure

CAS No:
771-61-9
Formula:
C6HF5O
Chemical Name:
Pentafluorophenol
Synonyms:
Phenol,2,3,4,5,6-pentafluoro-;Phenol,pentafluoro-;2,3,4,5,6-Pentafluorophenol;Pentafluorophenol;Hydroxypentafluorobenzene;Perfluorophenol;Pentafluorohydroxybenzene;NSC 21627
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

White solid

Pentafluorophenol Basic Attributes

Molecular Weight：

184.06

Exact Mass：

184.06

BRN：

1912584

EC Number：

212-235-8

UNII：

A2YCF0YUHA

NSC Number：

21627

DSSTox ID：

DTXSID9061120

HScode：

29081000

Characteristics

PSA：

20.2

XLogP3：

3.2

Appearance：

White to almost white Low Melting Crystalline Solid

Density：

1.7±0.1 g/cm3

Melting Point：

32.8 °C

Boiling Point：

145.6 °C

Flash Point：

162 °F

Refractive Index：

1.429

Water Solubility：

H2O: soluble

Storage Conditions：

Store in dark!

Vapor Pressure：

2.91 mmHg

Toxicity：

LD50 scu-rat: 322 mg/kg IZSBAI 3,91,65

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38-34-20/21/22-63-43-23/24/25-45-67-40

safety instructions：

26-36-45-36/37/39-36/37-24/25-23-53

RTECS Number：

SM6680000

Marks：

Xi,T,C,Xn

Hazard note：

Toxic/Irritant

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, bases, acid chlorides, acid anhydrides.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Danger|H302 (24.53%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 57 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,3,4,5,6-pentafluorophenol

Pentafluorophenol Use and Manufacturing

Uses

Used for the preparation of pentafluorophenyl esters for peptide synthesis

Manufacturing Info：

Phenol, 2,3,4,5,6-pentafluoro-: ACTIVE

Computed Properties

Molecular Weight:184.06
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:183.99475546
Monoisotopic Mass:183.99475546
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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