ChemicalBook--->CAS DataBase List--->71902-33-5

71902-33-5

71902-33-5 Structure

71902-33-5 Structure
IdentificationMore
[Name]

3,5-Difluoropyridine
[CAS]

71902-33-5
[Synonyms]

3,5-DIFLUOROPYRIDINE
3,5-Difluoropyridine 98%
3,5-Difluoropyridine98%
3,5-Difluropyridine
[EINECS(EC#)]

624-636-9
[Molecular Formula]

C5H3F2N
[MDL Number]

MFCD03412222
[Molecular Weight]

115.08
[MOL File]

71902-33-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

92-93°C
[density ]

1,268 g/cm3
[refractive index ]

1.4437
[Fp ]

9°C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

clear liquid
[pka]

0.39±0.20(Predicted)
[color ]

Colorless to Almost colorless
[BRN ]

7914363
[InChI]

InChI=1S/C5H3F2N/c6-4-1-5(7)3-8-2-4/h1-3H
[InChIKey]

WRXAZPPGFLETFR-UHFFFAOYSA-N
[SMILES]

C1=NC=C(F)C=C1F
[CAS DataBase Reference]

71902-33-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

Hydrogenolysis of 2,4,6-tribromo-3,5-difluoropyridine occurred rapidly giving quantitative conversion to 3,5-difluoropyridine (5), with an isolated yield by distillation of 63%.
Safety DataBack Directory
[Hazard Codes ]

Xi,F,N,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R50:Very Toxic to aquatic organisms.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
[Safety Statements ]

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 .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

1993
[WGK Germany ]

3
[Hazard Note ]

Highly Flammable/Irritant
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29333990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Diethyl ether-->Lithium Aluminum Hydride-->Pentafluoropyridine-->2,3,5,6-Tetrafluoropyridine-->3,5-Dichloropyridine-->Potassium fluoride-->Sulfolane
[Preparation Products]

3,5-Difluoro-pyridin-4-ylamine-->2,5-Difluoropyridine-->3,4,5-Trifluoropyridine-->3,5-Difluoro-4-pyridinecarboxaldehyde-->3,5-Dimethoxypyridine-->2,3,4,5-Tetrafluoropyridine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,5-Difluoropyridine(71902-33-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Liquid
[Preparation]

Synthesis of 3,5-Difluoropyridine: A solution of 2,4,6-tribromo-3,5-difluoropyridine (11) (34.0 g, 97 mmol) in DCM (200 cm3) was washed with activated carbon and filtered. A palladium catalyst (3.4 g of a 5% Pd/C commercially available product) and triethylamine (45 cm3, 31.5 g, 312 mmol) were added to the filtrate and the mixture hydrogenated in a Parr apparatus at 4 Bar for 21 h. The mixture was filtered, water (200 cm3) added and extracted into DCM. Distillation of the DCM solution on Fischer-Spaltrohr apparatus gave 3,5-difluoropyridine (7.0 g, 61 mmol, 63%), b.p. 92.5 ·c (Found: C, 52.2; H, 3.0; N, 12.2. C5H3F2N2 requires C, 52.2; H, 3.0; N, 12.2%);
IR spectrum no. 1; mass spectrum no. 1; nrnr spectrum no. 8.
[References]

[1] Patent: US2006/9643, 2006, A1. Location in patent: Page/Page column 4-5
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-Difluoropyridine(71902-33-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Difluoropyridine, 98%(71902-33-5)
[Sigma Aldrich]

71902-33-5(sigmaaldrich)
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