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| CAS No.: | 371-40-4 |
|---|---|
| Name: | 4-Fluoroaniline |
| Article Data: | 263 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6FN |
| Molecular Weight: | 111.119 |
| Synonyms: | benzenamine, 4-fluoro-;Aniline, 4-fluoro-;Aniline, p-fluoro- (8CI);4-Fluoranilin;4-Fluorobenzenamine;4-12-00-01104 (Beilstein Handbook Reference);p-Fluorophenylamine;1-Amino-4-fluorobenzene;4-Fluoranilin [Czech];Aniline, p-fluoro-;para-Fluoroaniline;p-fluoroaniline; |
| EINECS: | 206-735-5 |
| Density: | 1.158 g/cm3 |
| Melting Point: | -1.9 °C |
| Boiling Point: | 188.9 °C at 760 mmHg |
| Flash Point: | 77.9 °C |
| Solubility: | 33 g/L (20 °C) in water |
| Appearance: | light yellow to gold-coloured liquid |
| Hazard Symbols: |
 Xn,  Xi,  C,  T
|
| Risk Codes: | 22-34-36/38-33-23/24/25 |
| Safety: | 26-36/37/39-45-37/39-28 |
| Transport Information: | UN 2941 6.1/PG 3 |
| PSA: | 26.02000 |
| LogP: | 1.98910 |
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Chemistry
IUPAC Name: 4-fluoroaniline
Molecular formula: C6H6FN
Molecular Weight: 111.12g/mol
EINECS: 206-735-5
Structure of 4-Fluoroaniline (CAS NO.371-40-4):
Index of Refraction: 1.548
Molar Refractivity: 30.48 cm3
Molar Volume: 95.9 cm3
Polarizability: 12.08×10-24cm3
Surface Tension: 39.3 dyne/cm
Density: 1.158 g/cm3
Flash Point: 77.9 °C
Enthalpy of Vaporization: 42.52 kJ/mol
Melting point: -1.9 °C
Boiling Point: 188.9 °C at 760 mmHg
Vapour Pressure: 0.584 mmHg at 25°C
Water Solubility:33 g/L (20 °C)
Product Categories: Fluoro-Aromatics;Anilines, Aromatic Amines and Nitro Compounds;Fluorobenzene;Amines
Canonical SMILES: C1=CC(=CC=C1N)F
InChI: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
InChIKey: KRZCOLNOCZKSDF-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | skn-rbt 2 mg/24H SEV | 85JCAE Prehled Prumyslove Toxikologie; Organicke Latky Marhold, J.,Prague, Czechoslovakia.: Avicenum1986,611. | ||
| 2. | eye-rbt 250 µg/24H SEV | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,95. | ||
| 3. | mma-sat 1 µmol/plate | MUREAV Mutation Research. 77 (1980),317. | ||
| 4. | orl-rat LD50:417 mg/kg | CEHYAN Ceskoslovenska Hygiena. Czechoslovak Hygiene. 23 (1978),168. | ||
| 5. | orl-bwd LD50:100 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
Safety Profile
Poison by ingestion. Mutation data reported. A severe skin and eye irritant. When heated to decomposition it emits very toxic fumes of NOx and F−.
Hazard Codes: 
C,
T,
Xi,
Xn
Risk Statements: 22-34-36/38-33-23/24/25
R22:Harmful if swallowed.
R34:Causes burns.
R36/38:Irritating to eyes and skin.
R33:Danger of cumulative effects.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45-37/39-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S37/39:Wear suitable gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 2941 6.1/PG 3
WGK Germany: 1
RTECS: BY1575000
Hazard Note: Toxic/Irritant
TSCA: T
HazardClass: 6.1
PackingGroup: III
HS Code: 29214210
Hazardous Substances Data: 371-40-4(Hazardous Substances Data)
Specification
4-Fluoroaniline , its cas register number is 371-40-4. It also can be called 1-Amino-4-fluorobenzene ; 4-12-00-01104 (Beilstein Handbook Reference) ; 4-Fluorobenzenamine ; Aniline, 4-fluoro- ; Aniline, p-fluoro- ; Benzenamine, 4-fluoro- ;
CCRIS 5059 ; HSDB 2691 ; NSC 579 ; p-Fluoroaniline ; p-Fluorophenylamine ; para-Fluoroaniline . 4-Fluoroaniline (CAS NO.371-40-4) is a light yellow to gold-coloured liquid.