CAS No.132131-24-9,2-AMINO-5-IODOBENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	132131-24-9
Name:	2-AMINO-5-IODOBENZONITRILE
Article Data:	21

Formula:	C₇H₅IN₂
Molecular Weight:	244.035
Synonyms:	2-AMINO-5-IODOBENZONITRILE
Density:	1.981 g/cm³
Melting Point:	86℃ (ethanol )
Boiling Point:	333.622 °C at 760 mmHg
Flash Point:	155.569 °C
PSA:	49.81000
LogP:	2.32628

Synthetic route

: 1885-29-6
anthranilic acid nitrile

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
With K(ICl2) In methanol; water at 20℃; for 2h;	93%
With ammonium iodide; dihydrogen peroxide; acetic acid at 20℃; for 12h;	92.6%
With ammonium iodide; dihydrogen peroxide; acetic acid at 20℃; for 12h;	92.6%

: 516-12-1
N-iodo-succinimide

: 1885-29-6
anthranilic acid nitrile

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
In DMF (N,N-dimethyl-formamide) at 20℃; for 18h;	73%

: N-(2-cyano-4-iodo-phenyl)-2,2,2-trifluoro-acetamide

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
With potassium carbonate In methanol at 20℃; for 12h;

: 878133-06-3
N-(2,4-diiodo-phenyl)-2,2,2-trifluoro-acetamide

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dimethylformamide / 0.5 h / 100 °C 2: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme

: 533-70-0
2,4-diiodoaniline

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dimethylformamide / 0.5 h / 20 °C 2: dimethylformamide / 0.5 h / 100 °C 3: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme

: 540-37-4
p-aminoiodobenzene

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: ICl / dimethylformamide / 0.5 h / 20 °C 2: dimethylformamide / 0.5 h / 20 °C 3: dimethylformamide / 0.5 h / 100 °C 4: aq. K2CO3 / methanol / 12 h / 20 °C View Scheme

: 1885-29-6
anthranilic acid nitrile

A: 132131-24-9
5-iodoanthranilonitrile

B: 114344-67-1
3-iodo-2-aminobenzonitrile

Conditions

Conditions	Yield
With dihydrogen peroxide; acetic acid; potassium iodide In water at 20℃; for 24h;

: 7790-99-0
Iodine monochloride

: 1885-29-6
anthranilic acid nitrile

: 132131-24-9
5-iodoanthranilonitrile

Conditions

Conditions	Yield
In acetic acid at 25 - 35℃; for 3h;

: 132131-24-9
5-iodoanthranilonitrile

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 903597-10-4
N’-(2-cyano-4-iodophenyl)-N,N-dimethyl formamidine

Conditions

Conditions	Yield
In N,N-dimethyl acetamide at 110℃; for 2h; Product distribution / selectivity; Heating / reflux;	100%
at 70 - 75℃; for 2h;

: 132131-24-9
5-iodoanthranilonitrile

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: (E)-N'-(2-cyano-4-iodophenyl)-N,N-dimethylformamidine

Conditions

Conditions	Yield
at 120℃; for 2h;	100%
at 90℃; for 1h;	98%
at 90℃; for 1h;	1.2 g

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Specification

The 2-Amino-5-iodobenzonitrile, with the CAS registry number 132131-24-9, is also known as Benzonitrile, 2-amino-5-iodo-. This chemical's molecular formula is C₇H₅IN₂ and molecular weight is 244.03. What's more, its systematic name is 2-Amino-5-iodobenzonitrile.

Physical properties of 2-Amino-5-iodobenzonitrile are: (1)ACD/LogP: 2.867; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.92; (6)ACD/BCF (pH 7.4): 88.92; (7)ACD/KOC (pH 5.5): 864.38; (8)ACD/KOC (pH 7.4): 864.41; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.81 Å²; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 47.86 cm³; (15)Molar Volume: 123.198 cm³; (16)Polarizability: 18.973×10^-24cm³; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.981 g/cm³; (19)Flash Point: 155.569 °C; (20)Enthalpy of Vaporization: 57.65 kJ/mol; (21)Boiling Point: 333.622 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(I)ccc1N
(2)Std. InChI: InChI=1S/C7H5IN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
(3)Std. InChIKey: PRIOKVMBFXTMRV-UHFFFAOYSA-N