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3-Fluoroaniline

3-Fluoroaniline structure

CAS No:
372-19-0
Formula:
C6H6FN
Chemical Name:
3-Fluoroaniline
Synonyms:
Benzenamine,3-fluoro-;Aniline,m-fluoro-;3-Fluorobenzenamine;3-Fluoroaniline;m-Fluorophenylamine;1-Amino-3-fluorobenzene;m-Fluoroaniline;3-Fluorophenylamine;NSC 10300;4-Amino-2-fluorobenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

Description

CLEAR YELLOW TO BROWN LIQUID

3-fluoroaniline is a derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate. It is a primary arylamine and a fluoroaniline.

3-Fluoroaniline Basic Attributes

Molecular Weight：

111.12

Exact Mass：

111.12

BRN：

1305471

EC Number：

206-747-0

NSC Number：

10300

DSSTox ID：

DTXSID10190683

HScode：

29214210

Characteristics

PSA：

XLogP3：

1.39

Appearance：

Clear yellow to brown Liquid

Density：

1.16004 g/cm³ @ Temp: 15.8 °C

Melting Point：

-5 °C

Boiling Point：

188 °C

Flash Point：

171 °F

Refractive Index：

1.548

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Toxicity：

Oral-Quail LD50: 56 mg/kg

Flammability characteristics：

Open flame is flammable; high heat emits toxic fluoride and nitrogen oxide gas

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2941 6.1/PG 3

wgk germany：

hazard class code：

22-37/38-41-36/38-33-23/24/25

safety instructions：

26-36/39-37/39-45-36/37-28

RTECS Number：

BY1400000

Marks：

Xn,T,Xi

Storage features：

The warehouse is ventilated at low temperature and dry; stored separately from oxidants, acids and food additives

Hazard note：

Toxic/Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

3-fluoroaniline

3-Fluoroaniline Use and Manufacturing

Used as an intermediate in organic synthesis

Computed Properties

Molecular Weight:111.12
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:111.048427358
Monoisotopic Mass:111.048427358
Topological Polar Surface Area:26
Heavy Atom Count:8
Complexity:74.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Tetrafluoroboric acid

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