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3,5-Difluoroaniline

3,5-Difluoroaniline structure

CAS No:
372-39-4
Formula:
C6H5F2N
Chemical Name:
3,5-Difluoroaniline
Synonyms:
Benzenamine,3,5-difluoro-;Aniline,3,5-difluoro-;3,5-Difluorobenzenamine;3,5-Difluoroaniline;3,5-Difluoronitroaniline;3,5-Difluorophenylamine;NSC 81289;3,5-Fluoroaniline
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

white to yellowish low melting solid

OtherSolid

3,5-Difluoroaniline Basic Attributes

Molecular Weight：

129.11

Exact Mass：

129.11

BRN：

2802286

EC Number：

206-752-8

UNII：

93F28C8C0X

NSC Number：

81289

DSSTox ID：

DTXSID0059906

HScode：

29214200

Characteristics

PSA：

XLogP3：

1.4

Appearance：

White to yellow Low Melting Solid

Density：

1.3±0.1 g/cm3

Melting Point：

39-40 °C

Boiling Point：

80°C20mm

Flash Point：

167 °F

Refractive Index：

1.521

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

28-36/37/39-26-36

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Danger|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,5-difluoroaniline

3,5-Difluoroaniline Use and Manufacturing

Methods of Manufacturing

Add N-benzyl-3, 5-difluoroaniline (4.42 g, 0.02 mol) in a 250 mL autoclave.Methanol (50 mL), sulfuric acid (5 g), 10percent palladium on carbon (0.35 g), sealed container, H2 was replaced 2-3 times, then the pressure was charged to 3.0 MPa, and reacted at 120 ° C for 15 h.After distilling off the solvent, the reaction mixture was evaporated to dryness m.Column chromatography (PE) gave white solid 3, 5-difluoroaniline (1.8 g, 69percent).(3) 190.5g of 3, 5-difluorobromobenzene was added to a 1000.0mL autoclave, 291.7 g of 30.0percent aqueous ammonia solution and 1.44 g of cuprous oxide catalyst were further added, Heated to 120 , the reaction was stirred 6.0h, The gas phase was detected until the reaction of the raw material was complete. The crude product was extracted with 200.0 g of dichloroethane and the organic phase was distilled to obtain 109.7 g of the final product of 3, 5-difluoroaniline with purity of about 99.0percent. The total yield was 85.0percent in two steps.

Uses

For organic synthesis

Intermediates

Manufacturing Info：

Pesticide, fertilizer, and other agricultural chemical manufacturing|Benzenamine, 3,5-difluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:129.11
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:129.03900549
Monoisotopic Mass:129.03900549
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:87.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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