ChemicalBook > CAS DataBase List > 2-AMINO-3-FLUOROBENZONITRILE

2-AMINO-3-FLUOROBENZONITRILE

Product Name
2-AMINO-3-FLUOROBENZONITRILE
CAS No.
115661-37-5
Chemical Name
2-AMINO-3-FLUOROBENZONITRILE
Synonyms
2-Cyano-6-fluoroaniline;Amino-3-fluorobenzonitrile;2-Amino-3-fluorobenzonitrile;Benzonitrile, 2-amino-3-fluoro-;2-Amino-3-fluorobenzonitrile,95%;2-Cyano-6-fluoroaniline, 3-Fluoroanthranilonitrile
CBNumber
CB81091595
Molecular Formula
C7H5FN2
Formula Weight
136.13
MOL File
115661-37-5.mol
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2-AMINO-3-FLUOROBENZONITRILE Property

Boiling point:
252.4±25.0 °C(Predicted)
Density 
1.25±0.1 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
pka
0.42±0.10(Predicted)
form 
Solid
Appearance
Off-white to light yellow Solid
InChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKey
UNISSOLHERSZOW-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=CC(F)=C1N
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Safety

HazardClass 
TOXIC
HazardClass 
6.1
HS Code 
2926907090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC
Product number
A898103
Product name
2-Amino-3-fluorobenzonitrile
Packaging
10mg
Price
$45
Updated
2021/12/16
Apolloscientific
Product number
PC9826
Product name
2-Amino-3-fluorobenzonitrile
Purity
97%
Packaging
1g
Price
$10
Updated
2021/12/16
Matrix Scientific
Product number
066864
Product name
2-Amino-3-fluorobenzonitrile
Purity
98%
Packaging
1g
Price
$10
Updated
2021/12/16
SynQuest Laboratories
Product number
3637-3-65
Product name
2-Amino-3-fluorobenzonitrile
Packaging
1g
Price
$16
Updated
2021/12/16
Apolloscientific
Product number
PC9826
Product name
2-Amino-3-fluorobenzonitrile
Purity
97%
Packaging
5g
Price
$32
Updated
2021/12/16
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2-AMINO-3-FLUOROBENZONITRILE Chemical Properties,Usage,Production

Chemical Properties

brown liquid

Uses

2-Amino-3-fluorobenzonitrile is used as an intermediate in organic synthesis and medicinal chemistry, and is mostly used in basic chemical research and modification of pharmaceutical molecules.

Synthesis

21524-39-0

115661-37-5

The general procedure for the synthesis of 2-amino-3-fluorobenzonitrile from 2,3-difluorobenzonitrile was as follows: a mixture of 2,3-difluorobenzonitrile (19.0 g, 137 mmol), pre-saturated with ammonia, and ethanol (200 mL) was placed in an autoclave and heated for 8 hr at 140 °C (final pressure 200 psi). Upon completion of the reaction, the mixture was cooled to room temperature and evaporated to dryness. The residue was dissolved in water (400 mL) and extracted with ether (2 x 300 mL). The organic phases were combined, washed sequentially with water (300 mL) and brine (250 mL), and then dried over anhydrous magnesium sulfate. After drying, the solvent was filtered and evaporated. The resulting solid was ground with isohexane (150 mL) to give 2-amino-3-fluorobenzonitrile (9.8 g, 50% yield) as an off-white solid. Its 1H NMR (360 MHz, CDCl3) data were as follows: δ 4.47 (2H, s), 6.65-6.71 (1H, m), 7.14-7.20 (2H, m).

References

[1] Journal of Medicinal Chemistry, 2009, vol. 52, # 2, p. 278 - 292
[2] Patent: US2003/55060, 2003, A1
[3] Patent: WO2003/99816, 2003, A1. Location in patent: Page 55
[4] Patent: WO2003/93272, 2003, A1. Location in patent: Page/Page column 36
[5] Journal of Medicinal Chemistry, 2006, vol. 49, # 4, p. 1235 - 1238

2-AMINO-3-FLUOROBENZONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

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2-AMINO-3-FLUOROBENZONITRILE Suppliers

Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
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84
Beijing HwrkChemical Technology Co., Ltd
Tel
18515581800 18501085097
Fax
010-89508210
Email
sales.bj@hwrkchemical.com
Country
China
ProdList
9400
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55
Shijiazhuang Sdyano Fine Chemical Co., Ltd.
Tel
0311-89250318 031166536426
Fax
4000311741
Email
master@sjzsdyn.com
Country
China
ProdList
2809
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65
Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Country
China
ProdList
18207
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66
JinYan Chemicals(ShangHai) Co.,Ltd.
Tel
13817811078
Fax
86-021-50426522,50426273
Email
sales@jingyan-chemical.com
Country
China
ProdList
9976
Advantage
60
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9310
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66
Accela ChemBio Co.,Ltd.
Tel
021-50795510 4000665055
Fax
021-50795055
Email
sales@accelachem.com
Country
China
ProdList
11035
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64
Shanghai Longsheng chemical Co.,Ltd.
Tel
021-58099652-8005 13585536065
Fax
021-58099609
Email
bin.wu@shlschem.com
Country
China
ProdList
9883
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59
Shanghai Harvest Chemical Industrial Co., Ltd.
Tel
021-31038972,31038973 17321035817
Fax
+86-21-51385350
Email
sales@harvest-chem.com
Country
China
ProdList
2816
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64
Shanghai Hanhong Scientific Co.,Ltd.
Tel
021-54306202 13764082696
Email
info@hanhongsci.com
Country
China
ProdList
42934
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64
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View Lastest Price from 2-AMINO-3-FLUOROBENZONITRILE manufacturers

Qingdao RENAS Polymer Material Co., Ltd.
Product
2-amino-3-fluorobenzonitrile 115661-37-5
Price
US $0.00/kg
Min. Order
20kg
Purity
99%
Supply Ability
20 tons
Release date
2025-04-21
Huida Pharmaceutical Technology (Shanghai) Co., Ltd.
Product
2-AMINO-3-FLUOROBENZONITRILE 115661-37-5
Price
US $0.00-0.00/kg
Min. Order
0.1kg
Purity
98%
Supply Ability
100kg
Release date
2023-03-09
Zhuozhou Wenxi import and Export Co., Ltd
Product
2-AMINO-3-FLUOROBENZONITRILE 115661-37-5
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10