4-Fluoro-2-nitrobenzaldehyde supplier

Name
4-FLUORO-2-NITRO-BENZALDEHYDE
EINECS 220-884-3
CAS No. 2923-96-8
Article Data13
CAS DataBase
Density 1.443 g/cm³
Solubility
Melting Point 32-33 °C
Formula C₇H₄FNO₃
Boiling Point 294.2 °C at 760 mmHg
Molecular Weight 169.112
Flash Point 131.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-2-nitrobenzaldehyde;NSC 96890;
PSA 62.89000
LogP 2.06960

4-Fluoro-2-nitrobenzaldehyde Specification

The 4-Fluoro-2-nitrobenzaldehyde with the cas number 2923-96-8 is also called Benzaldehyde,4-fluoro-2-nitro-. Its EINECS registry number is 220-884-3. The molecular formula is C₇H₄FNO₃. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.767; (4)ACD/LogD (pH 7.4): 1.767; (5)ACD/BCF (pH 5.5): 12.965; (6)ACD/BCF (pH 7.4): 12.965; (7)ACD/KOC (pH 5.5): 217.847; (8)ACD/KOC (pH 7.4): 217.847; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 39.545 cm³; (15)Molar Volume: 117.151 cm³; (16)Polarizability: 15.677×10^-24cm³; (17)Surface Tension: 52.232 dyne/cm; (18)Enthalpy of Vaporization: 53.385 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

Uses: This chemical can react with 2-cyano-acetamide to prepare 2-cyano-3-(4-fluoro-2-nitro-phenyl)-acrylamide. This reaction needs reagent piperidine and solvent methanol at heating condition. The reaction time is 2.0 hours. The yield is 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1F)N(=O)=O)C=O
(2)InChI: InChI=1/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H
(3)InChIKey: ORCGMGUNVGVHDN-UHFFFAOYAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	140mg/kg (140mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03510,

Product Name

4-FLUORO-2-NITRO-BENZALDEHYDE

4-Fluoro-2-nitrobenzaldehyde Specification

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