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3-Fluoro-4-nitrophenol

3-Fluoro-4-nitrophenol structure

CAS No:
394-41-2
Formula:
C6H4FNO3
Chemical Name:
3-Fluoro-4-nitrophenol
Synonyms:
Phenol,3-fluoro-4-nitro-;3-Fluoro-4-nitrophenol;4-Nitro-3-fluorophenol;2-Fluoro-4-hydroxy-1-nitrobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

light yellow to beige powder

3-Fluoro-4-nitrophenol Basic Attributes

Molecular Weight：

157.1

Exact Mass：

157.10

EC Number：

206-895-6

DSSTox ID：

DTXSID2075346

HScode：

2908999090

Characteristics

PSA：

XLogP3：

1.4

Appearance：

Brownish yellow crystal

Density：

1.5±0.1 g/cm3

Melting Point：

91.5-92.5 °C

Boiling Point：

323.5°C at 760 mmHg

Flash Point：

149.5±23.7 °C

Refractive Index：

1.582

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S39

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

Drug Information

MeSH Entry Terms：

3-fluoro-4-nitrophenol

3-Fluoro-4-nitrophenol Use and Manufacturing

3-Fluorophenol (5Og, 446mmol, lequiv) is dissolved glacial acetic acid (250 mL) and nitric acid 99percent (29.8g, 468mmol, 1.05equiv) is added slowly over approximately 1 h, maintaining the temperature at 20-25

Computed Properties

Molecular Weight:157.10
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:157.01752115
Monoisotopic Mass:157.01752115
Topological Polar Surface Area:66
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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