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5-Fluoro-2-methylaniline

5-Fluoro-2-methylaniline structure

CAS No:
367-29-3
Formula:
C7H8FN
Chemical Name:
5-Fluoro-2-methylaniline
Synonyms:
Benzenamine,5-fluoro-2-methyl-;o-Toluidine,5-fluoro-;5-Fluoro-2-methylbenzenamine;2-Methyl-5-fluoroaniline;5-Fluoro-2-methylaniline;2-Amino-4-fluorotoluene;3-Fluoro-6-methylaniline;NSC 60730;5-Fluoro-2-methylphenylamine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

purple to brown crystalline solid

5-Fluoro-2-methylaniline Basic Attributes

Molecular Weight：

125.146

Exact Mass：

125.14

EC Number：

206-689-6

NSC Number：

60730

DSSTox ID：

DTXSID10190143

HScode：

29214300

Characteristics

PSA：

XLogP3：

0.9

Appearance：

Brown solid.

Density：

1.1±0.1 g/cm3

Melting Point：

37.5 °C

Boiling Point：

100-101 °C @ Press: 16 Torr

Flash Point：

90.0±0.0 °C

Refractive Index：

1.542

Water Solubility：

H2O: insoluble

Storage Conditions：

Keep away from heat, sparks, and flame. 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：

R23/24/25;R36/37/38

safety instructions：

S26-S27-S36/37/39-S45

Marks：

T:Toxic;Xn:Harmful;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P280-P301 + P312 + P330-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

5-Fluoro-2-methylaniline Use and Manufacturing

4-Fluoro-1-methyl-2-nitrobenzene (2.50 g, 16 mmol) was dissolved in ethanol (50 mL).To this solution, iron powder (4.50 g, 81 mmol) and 0.25 ml of HC1 were added at 0 °C and the reaction mixture was refluxed for 12h. After completion of reaction, reaction mixture was cooled to room temperature, diluted with ethyl acetate, filtered through Celite® and washed with ethyl acetate. Filtrate was basified with sodium bicarbonate solution; organic layer was washed with water followed by brine solution. Organic layer was dried over anhydrous Na2SO4 andconcentrated under reduced pressure to obtain crude compound. The residue was purified by column chromatography (n-hexane/ EtOAc 1:1) to give the title compound (1.4 g, 70 percent) as a light brown solid.‘H NMR (400 MHz, DMSO-d6): ö 6.87 (t, J = 7.6 Hz, 1H), 6.38-6.34 (m, 1H), 6.22-6.18 (m, 1H), 5.11 (bs, 2H), 1.99 (s, 3H). MS (ES) mle: 126 (M+1).Synthesis of 5-fluoro-2-methylaniline

Computed Properties

Molecular Weight:125.14
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:125.064077422
Monoisotopic Mass:125.064077422
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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5-Fluoro-2-methylaniline

CAS No.: 367-29-3

Grade: industrial Grade

Content: 98%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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5-Fluoro-2-methylaniline

CAS No.: 367-29-3

Content: 99.00%

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