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4-Fluoro-N-(1-methylethyl)benzenamine

4-Fluoro-N-(1-methylethyl)benzenamine structure

CAS No:
70441-63-3
Formula:
C9H12FN
Chemical Name:
4-Fluoro-N-(1-methylethyl)benzenamine
Synonyms:
Benzenamine,4-fluoro-N-(1-methylethyl)-;4-Fluoro-N-(1-methylethyl)benzenamine;4-Fluoro-N-isopropylaniline;N-Isopropyl-4-fluoroaniline;N-(4-Fluorophenyl)isopropylamine;N-(4-Fluorophenyl)-N-isopropylamine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Fluoro-N-(1-methylethyl)benzenamine Basic Attributes

Molecular Weight：

153.2

Exact Mass：

153.20

EC Number：

448-100-7

DSSTox ID：

DTXSID6074675

HScode：

2921420090

Characteristics

PSA：

XLogP3：

2.8

Density：

1.0±0.1 g/cm3

Boiling Point：

213.9°C at 760 mmHg

Flash Point：

83.1±22.6 °C

Refractive Index：

1.528

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2810

Precautionary statement(s)：

P201, P202, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P321, P330, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P311, P312, P314, P321, P330, P332+P313, P333+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Fluoro-N-(1-methylethyl)benzenamine Use and Manufacturing

Methods of Manufacturing

4 - fluoronitrobenzene 10kg (70 52mol.), 2, 2 -. Dimethoxypropane 7 · 42kg (. 70 52mol), l 74kg p-toluenesulfonic acid, 871 g of platinum on carbon (content 3percent) and 18kg 50L toluene were charged into an autoclave, stirred, temperature to 70-80 ° C, the hydrogen pressure maintained at 5 -20bar, until the pressure is constant, about 4 hours of reaction, the reaction mixture was cooled and filtered to remove the catalyst. 3kg washing water was added, points to the water layer, the organic phase was stripped of toluene to give 10. 76 kg N - isopropyl-4 - fluoroaniline, yield 98percent.4 mol of 4-fluoronitrobenzene, 2 mol of acetone, and Raney nickel catalyst were placed in an autoclave and the temperature was raised to 60 degrees. Into the hydrogen, the pressure is maintained at 0.7MPA until the pressure is constant, cooling to 30 degrees, filtering the catalyst, Take the organic phase to remove water to give N-isopropyl-4-fluoroaniline; (1H-NMR shows 4 hydrogens on δ 7.04 benzene ring, hydrogen chemical signal on δ 4.96 tertiary carbon CH-, δ 1.04 is 6 hydrogen signals on two methyl groups); yield (93percent, Purity 94percent).4-Fluoro-N-isopropylaniline A mixture of 4-fluoro-aniline (1 .12 g; 10 mmol), 2-bromopropane (1 .13 ml) and K

Uses

4-Fluoro-N-isopropylaniline is an intermediate used in the synthesis of Flufenacet, a herbicide.

Computed Properties

Molecular Weight:153.20
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:153.095377549
Monoisotopic Mass:153.095377549
Topological Polar Surface Area:12
Heavy Atom Count:11
Complexity:106
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Fluoro-N-(1-methylethyl)benzenamine

Hangzhou Royalchem Co.,LTD Contact Supplier

CN
YRS

Business licensed

Trader Supplier of Pharmaceutical intermediates

4-fluoro-N-isopropylaniline RC03558

Unit Price: $1 /KG EXW

CAS No.: 70441-63-3

Grade: Industrial Grade

Content: 99%

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Hangzhou Chungyo Chemicals Co., Ltd. Contact Supplier

CN
YRS

Business licensed Certified factory

Manufactory Supplier of Dyes,Textile agent,Medical intermediate,API,Pigments,Basic Chemicals

4-FLUORO-N-ISOPROPYLANILINE

CAS No.: 70441-63-3

Grade: pharmaceutical grade

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Guide of 4-Fluoro-N-(1-methylethyl)benzenamine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-Fluoro-N-(1-methylethyl)benzenamine

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