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2,3,4-Trifluoroaniline

2,3,4-Trifluoroaniline structure

CAS No:
3862-73-5
Formula:
C6H4F3N
Chemical Name:
2,3,4-Trifluoroaniline
Synonyms:
Benzenamine,2,3,4-trifluoro-;Aniline,2,3,4-trifluoro-;2,3,4-Trifluorobenzenamine;2,3,4-Trifluoroaniline;2,3,4-Trifluorophenylamine
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

CLEAR PURPLE TO BROWN LIQUID

2,3,4-Trifluoroaniline Basic Attributes

Molecular Weight：

147.1

Exact Mass：

147.10

BRN：

3245609

EC Number：

253-703-1

HScode：

29214210

Characteristics

PSA：

XLogP3：

1.5

Appearance：

Colorless To Light Yellow Liquid

Density：

1.4±0.1 g/cm3

Melting Point：

14-15°C

Boiling Point：

46 °C @ Press: 5 Torr

Flash Point：

155 °F

Refractive Index：

1.496

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Toxicity：

LD50 orl-rat: 699 mg/kg JACTDZ 1,61,90

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

UN 3082 9/PG 3

wgk germany：

hazard class code：

21/22-38-41-48/22-51/53

safety instructions：

23-26-36/37/39-61

RTECS Number：

CY1211500

Marks：

Xn,N,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312-H315-H318-H373-H411

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P362, P363, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 32 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,3,4-Trifluoroaniline Use and Manufacturing

Methods of Manufacturing

It is obtained by reduction with 1, 2, 3-trifluoro-4-nitrobenzene.

Uses

Intermediate of quinolone antibacterial agents Lomefloxacin and Norfloxacin. It is also used to synthesize the antibacterial drug fluazinic acid.

Computed Properties

Molecular Weight:147.10
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:147.02958362
Monoisotopic Mass:147.02958362
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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