CAS No.364-76-1,4-Fluoro-3-nitroaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	364-76-1
Name:	4-Fluoro-3-nitroaniline
Article Data:	16

Formula:	C₆H₅FN₂O₂
Molecular Weight:	156.116
Synonyms:	Aniline,4-fluoro-3-nitro- (6CI,7CI,8CI);Benzenamine,4-fluoro-3-nitro-;4-Fluoro-3-nitrobenzenamine;4-Fluoro-3-nitrophenylamine;NSC 10293;
EINECS:	206-665-5
Density:	1.448 g/cm³
Melting Point:	94-96 °C(lit.)
Boiling Point:	331.3 °C at 760 mmHg
Flash Point:	91.1 °C
Solubility:	Insoluble in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn, Xi
Risk Codes:	20/21/22-36/37/38-22
Safety:	36/37-37/39-26
Transport Information:	UN 1325 4.1/PG 2
PSA:	71.84000
LogP:	2.42050

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Chemistry

The molecular structure of 4-Fluoro-3-nitroaniline (CAS NO.364-76-1):

IUPAC Name: 4-Fluoro-3-nitroaniline
Molecular Weight: 156.114503 g/mol
Molecular Formula: C₆H₅FN₂O₂
Density: 1.448 g/cm³
Melting Point: 94-96 °C(lit.)
Boiling Point: 331.3 °C at 760 mmHg
Flash Point: 91.1 °C
Index of Refraction: 1.603
Molar Refractivity: 37.02 cm³
Molar Volume: 107.7 cm³
Surface Tension: 56.7 dyne/cm
Enthalpy of Vaporization: 57.39 kJ/mol
Vapour Pressure: 0.000157 mmHg at 25 °C
Water Solubility: insoluble
XLogP3: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 4
Exact Mass: 156.033506
MonoIsotopic Mass: 156.033506
Topological Polar Surface Area: 69.2
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])F
InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N
EINECS: 206-665-5
Product Categories: Fluorobenzene Series; Anilines, Aromatic Amines and Nitro Compounds; Fluorobenzene; API intermediates; Amines; C2 to C6; Nitrogen Compounds

Uses

4-Fluoro-3-nitroaniline (CAS NO.364-76-1) is used as dye and pharmaceutical intermediates.

Toxicity Data With Reference

orl-rat LD50:1100 mg/kg

TXAPA9 Toxicology and Applied Pharmacology. 72 (1984),400.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Harmful Xn, Irritant Xi
Risk Statements: 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 36/37-37/39-26
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1325 4.1/PG 2
WGK Germany: 2
RTECS: BY1700000
Hazard Note: Irritant
TSCA: T
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29214210
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NO_x and F⁻.

Specification

4-Fluoro-3-nitroaniline (CAS NO.364-76-1) is also named as 3-Nitro-4-fluoroaniline ; 4-12-00-01668 (Beilstein Handbook Reference) ; 4-Fluoro-3-nitrobenzenamine ; BRN 2210199 ; Benzenamine, 4-fluoro-3-nitro- ; NSC 10293 . 4-Fluoro-3-nitroaniline (CAS NO.364-76-1) is white to light yellow crystal powder. It is insoluble in water, soluble in benzene, toluene, ethanol and ether .