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3-Chloro-4-fluoroaniline

3-Chloro-4-fluoroaniline structure

CAS No:
367-21-5
Formula:
C6H5ClFN
Chemical Name:
3-Chloro-4-fluoroaniline
Synonyms:
Benzenamine,3-chloro-4-fluoro-;Aniline,3-chloro-4-fluoro-;3-Chloro-4-fluorobenzenamine;3-Chloro-4-fluoroaniline;4-Fluoro-3-chloroaniline;m-Chloro-p-fluoroaniline;3-Chloro-4-fluorophenylamine;NSC 10290
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

dark purple to black solid

3-Chloro-4-fluoroaniline Basic Attributes

Molecular Weight：

145.56

Exact Mass：

145.56

BRN：

1562786

EC Number：

206-682-8

UNII：

7L63CC70UQ

NSC Number：

10290

DSSTox ID：

DTXSID0038754

HScode：

29214210

Characteristics

PSA：

XLogP3：

2.1

Appearance：

Beige to brown Crystalline Solid

Density：

1.3±0.1 g/cm3

Melting Point：

45.5 °C

Boiling Point：

227.5 °C

Flash Point：

>230 °F

Refractive Index：

1.570

Water Solubility：

H2O: 10 g/L (20 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.01 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 506 mg/kg

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

23/24/25-33-36/37/38-20/21/22

safety instructions：

36/37/39-45-26

Marks：

T,Xi,Xn

Hazard note：

Irritant/Toxic

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, chloroformates. May be air-sensitive.

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301 + H311 + H331-H373

Drug Information

MeSH Entry Terms：

3-chloro-4-fluoroaniline

3-Chloro-4-fluoroaniline Use and Manufacturing

Methods of Manufacturing

It is obtained from o-dichlorobenzene as raw material through nitration with nitric acid and reduction with hydrogen.

Uses

An important intermediate for the synthesis of norfloxacin (norfloxacin). Use It is an important intermediate for the synthesis of norfloxacin

Manufacturing Info：

Benzenamine, 3-chloro-4-fluoro-: ACTIVE

Computed Properties

Molecular Weight:145.56
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:145.0094550
Monoisotopic Mass:145.0094550
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Dimethyl sulfoxide

Potassium fluoride

1,2-Dichlorobenzene

Downstream Products

Norfloxacin

3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, hydrochloride (1:?)

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