CAS No.458-11-7,3',4'-DIFLUOROACETANILIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	458-11-7
Name:	3',4'-DIFLUOROACETANILIDE
Article Data:	20

Formula:	C₈H₇F₂NO
Molecular Weight:	171.146
Synonyms:	3,4-Difluoroacetanilide;N-(3,4-Difluorophenyl)acetamide;NSC 10347;
Density:	1.307 g/cm³
Melting Point:	127-127.5 °C
Boiling Point:	291.2 °C at 760 mmHg
Flash Point:	129.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	29.10000
LogP:	1.99620

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Specification

The Acetamide, N-(3, 4-difluorophenyl)-, with the CAS registry number of 458-11-7, is also known as 3, 4-Difluoroacetanilide. It belongs to the product categories of Anilines, Amides & Amines; Fluorine Compounds. This chemical's molecular formula is C₈H₇F₂NO and molecular weight is 171.14. What's more, its IUPAC name is N-(3, 4-Difluorophenyl)acetamide.

Physical properties about Acetamide, N-(3, 4-difluorophenyl)- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.71; (6)ACD/BCF (pH 7.4): 16.71; (7)ACD/KOC (pH 5.5): 261.2; (8)ACD/KOC (pH 7.4): 261.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 40.51 cm³; (15)Molar Volume: 130.9 cm³; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.307 g/cm³; (18)Flash Point: 129.9 °C; (19)Enthalpy of Vaporization: 53.06 kJ/mol; (20)Boiling Point: 291.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00198 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of Acetic acid anhydride with 3, 4-Difluoro-aniline. The reaction time is 30 minutes with reaction temperature of 20 °C. The yield is about 90 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 4', 5'-Difluoro-2'-nitroacetanilide. This reaction needs reagents HNO₃ and H₂SO₄. The reaction time is 1 hour with reaction temperature of 5-10 °C. The yield is about 82 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(F)c(F)c1)C
(2) InChI: InChI=1/C8H7F2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)
(3) InChIKey: PSXXZHPJADTUNB-UHFFFAOYAC