4-Fluoroaniline

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Names

[ CAS No. ]:
371-40-4

[ Name ]:
4-Fluoroaniline

[Synonym ]:
P-FLUOROANILINE
4-Fluoroaniline
4-fluoro-anilin
4-fluoro-aniline
MFCD00007829
Benzenamine, 4-fluoro-
4-fluoro-phenylamine
fluoroanilines
p-fluoro-anilin
4-fluorobenzeneamine
4-Fluoronaniline
4-Fluoranilin
EINECS 206-735-5
Ezetimibe Impurity 18

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
188.9±13.0 °C at 760 mmHg

[ Melting Point ]:
-1.9 °C

[ Molecular Formula ]:
C₆H₆FN

[ Molecular Weight ]:
111.117

[ Flash Point ]:
73.9±0.0 °C

[ Exact Mass ]:
111.048424

[ PSA ]:
26.02000

[ LogP ]:
1.15

[ Vapour Pressure ]:
0.6±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.548

[ Stability ]:
Stable. Incompatible with acids, oxidizing agents.

[ Water Solubility ]:
33 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BY1575000

CHEMICAL NAME :: Aniline, 4-fluoro-

CAS REGISTRY NUMBER :: 371-40-4

BEILSTEIN REFERENCE NO. :: 0742030

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C6-H6-F-N

MOLECULAR WEIGHT :: 111.13

WISWESSER LINE NOTATION :: ZR DF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 417 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 1 umol/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 77,317,1980

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22;R36/38

[ Safety Phrases ]:
S26-S36/37/39-S45-S37/39

[ RIDADR ]:
UN 2941 6.1/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
BY1575000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
29214210

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Bromo-4-fluorobenzene
4-Fluoroiodobenzene
tert-butyl 4-tert-butylphenylcarbamate
1-Fluoro-4-nitrobenzene
N-BOC-aniline
4-Fluorobenzeneboronic acid
1-Azido-4-fluorobenzene solution
4-FLUOROANILINE, N-BOC PROTECTED
1-Chloro-4-fluorobenzene

DownStream

tert-Butyl (4-fluoro-2-iodophenyl)carbamate
(5E)-3-chloro-N-(4-chlorophenyl)-5-[(4-fluoroanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carboxamide
1-fluoro-4-(3-methoxyphenyl)benzene
(5E)-3-chloro-5-[(4-fluoroanilino)methylidene]-N-(4-fluorophenyl)-6-oxocyclohexa-1,3-diene-1-carboxamide
1,3,5-tris(4-fluorophenyl)-1,3,5-triazinane
4-fluoroisonitrosoacetanilide
4-Fluoro-N-(4-fluorobenzylidene)aniline
ETHYL 8-FLUORO-1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE-2-CARBOXYLATE
5-(4-fluorophenyl)furan-2-carbonyl chloride
4-Fluoro-3-nitroaniline

Customs

[ HS Code ]: 29214210

Articles

Growth of Thin, Anisotropic, π-Conjugated Molecular Films by Stepwise "Click" Assembly of Molecular Building Blocks: Characterizing Reaction Yield, Surface Coverage, and Film Thickness versus Addition Step Number.

J. Am. Chem. Soc. 137 , 8819-28, (2015)

We report the systematic characterization of anisotropic, π-conjugated oligophenyleneimine (OPI) films synthesized using stepwise imine condensation, or "click" chemistry. Film synthesis began with a ...

Biopartitioning micellar chromatography to predict mutagenicity of aromatic amines.

Eur. J. Med. Chem. 42 , 1396-402, (2007)

Mutagenicity is a toxicity endpoint associated with the chronic exposure to chemicals. Aromatic amines have considerable industrial and environmental importance due to their widespread use in industry...

The many roles for fluorine in medicinal chemistry.

J. Med. Chem. 51 , 4359-69, (2008)