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3-Iodo-1H-indazole

Product Name
3-Iodo-1H-indazole
CAS No.
66607-27-0
Chemical Name
3-Iodo-1H-indazole
Synonyms
3-IODOINDAZOLE;3-IODO-1H-INDAZOLE;3-iodo-2H-indazole;1H-Indazole, 3-iodo-;3-iodo-1H-indazole(SALTDATA: FREE)
CBNumber
CB8674463
Molecular Formula
C7H5IN2
Formula Weight
244.03
MOL File
66607-27-0.mol
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3-Iodo-1H-indazole Property

Melting point:
142 °C(Solv: water (7732-18-5))
Boiling point:
358.2±15.0 °C(Predicted)
Density 
2.082±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Inert atmosphere,2-8°C
pka
12.04±0.40(Predicted)
form 
solid
color 
White
InChI
InChI=1S/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
InChIKey
UDKYMMQGPNFWDA-UHFFFAOYSA-N
SMILES
N1C2=C(C=CC=C2)C(I)=N1
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Safety

HS Code 
29339900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

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N-Bromosuccinimide Price

TRC
Product number
I706378
Product name
3-Iodo-1H-indazole
Packaging
500mg
Price
$75
Updated
2021/12/16
SynQuest Laboratories
Product number
3H32-H-02
Product name
3-Iodo-1H-indazole
Purity
98%
Packaging
1g
Price
$115
Updated
2021/12/16
SynQuest Laboratories
Product number
3H32-H-02
Product name
3-Iodo-1H-indazole
Purity
98%
Packaging
5G
Price
$190
Updated
2021/12/16
AK Scientific
Product number
J51070
Product name
3-Iodo-1H-indazole
Packaging
25g
Price
$250
Updated
2021/12/16
AK Scientific
Product number
J51070
Product name
3-Iodo-1H-indazole
Packaging
10g
Price
$140
Updated
2021/12/16
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3-Iodo-1H-indazole Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

3-Iodo-1H-indazole is a halogenated indazole compound containing an iodine atom substituent at the 3-position. Due to its highly reactive structure, it can be used in arylation or halogenation reactions. It can also be used in the preparation of fluorinated pyrazoles and indazoles. It can be used in the pharmaceutical field as a raw material or intermediate component in the synthesis of biologically active drugs.

Synthesis

271-44-3

66607-27-0

The synthesis of 3-iodoindazole was carried out according to the method previously reported by Bocchi [28] with slight modifications. The procedure was as follows: 1H-indazole (3 g, 25.4 mmol), iodine (12.7 g, 50.03 mmol) and potassium hydroxide (5.34 g, 95.25 mmol) were dissolved in DMF (7 mL) and the reaction was stirred for 3 h at room temperature. Upon completion of the reaction, saturated sodium bisulfite solution (150 mL) was added to quench the reaction, at which time a precipitate was generated. The precipitate was collected by vacuum filtration and washed with distilled water (3 x 30 mL). The resulting solid was dried overnight in a vacuum oven at 30 °C to give 6.17 g of light yellow solid product in 100% yield. The product was characterized as follows: melting point 136-138 °C (literature value [36]: 134-136 °C); IR (KBr) ν (cm-1): 3086 (NH), 424 (C-I); 1H-NMR δ (ppm): 13.50 (1H, s, H-1), 7.55 (1H, d, J=8.6 Hz, H-7), 7.45- 7.40 (2H, m, H-6 and H-4), 7.19 (1H, dd, J=7.5 Hz, H-5); 13C-NMR δ (ppm): 140.41, 127.22, 126.79, 121.23, 120.39, 110.51, 93.49; HRMS (calculated value C7H5IN2: 243.9497. measured value: 243.9499).

References

[1] Patent: WO2007/65010, 2007, A2. Location in patent: Page/Page column 84
[2] Molecules, 2018, vol. 23, # 8,
[3] Organic and Biomolecular Chemistry, 2015, vol. 13, # 26, p. 7257 - 7264
[4] Synlett, 2010, # 2, p. 219 - 222
[5] Patent: WO2015/25025, 2015, A1. Location in patent: Page/Page column 355

3-Iodo-1H-indazole Preparation Products And Raw materials

Raw materials

Preparation Products

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3-Iodo-1H-indazole Suppliers

Shanghai Titan Enterprise Development Co., Ltd
Tel
16621224781
Email
syy@titansci.com
Country
China
ProdList
2896
Advantage
58
Ningbo Zeyu Chemical Technology Co., Ltd
Tel
15066123231
Email
2278736577@qq.com
Country
China
ProdList
492
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58
J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
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76
ForeChem (Nantong) Technology Co.,Ltd.
Tel
513-85982855 18921614129
Fax
051385915507
Email
sales@xianxingpharm.com
Country
China
ProdList
2986
Advantage
61
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44801
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61
Capot Chemical Co., Ltd
Tel
+86 (0) 571 85 58 67 18
Fax
0086-571-85864795
Country
China
ProdList
18207
Advantage
66
Jia Xing Isenchem Co.,Ltd
Tel
0573-85285100 18627885956
Fax
0573-85285100
Email
isenchem@163.com
Country
China
ProdList
9310
Advantage
66
Pure Chemistry Scientific Inc.
Tel
001-857-928-2050 or 1-888-588-9418
Fax
001-617-206-9595
Email
sales@chemreagents.com
Country
United States
ProdList
10186
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62
Tetranov Biopharm
Tel
13526569071
Email
sales@leadmedpharm.com
Country
China
ProdList
7892
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64
Adamas Reagent, Ltd.
Tel
400-6009262 16621234537
Fax
021-64823266
Email
chenyj@titansci.com
Country
China
ProdList
14101
Advantage
59
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View Lastest Price from 3-Iodo-1H-indazole manufacturers

Career Henan Chemical Co
Product
3-Iodoindazole 66607-27-0
Price
US $7.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100KG
Release date
2018-12-17