CAS No.5922-60-1,2-Amino-5-chlorobenzonitrile Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5922-60-1
Name:	2-Amino-5-chlorobenzonitrile
Article Data:	23

Formula:	C₇H₅ClN₂
Molecular Weight:	152.583
Synonyms:	Anthranilonitrile,5-chloro- (6CI,7CI,8CI);1-Cyano-2-amino-5-chlorobenzene;2-Amino-5-chlorobenzenecarbonitrile;2-Amino-5-chlorobenzonitrile;2-Cyano-4-chloroaniline;4-Chloro-2-cyanoaniline;5-Chloro-2-aminobenzonitrile;5-Chloroanthranilonitrile;6-Amino-3-chlorobenzonitrile;
EINECS:	227-651-5
Density:	1.33 g/cm³
Melting Point:	96-99 °C(lit.)
Boiling Point:	290.9 °C at 760 mmHg
Flash Point:	129.7 °C
Appearance:	white to light beige crystalline needles
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36-36/37/39
PSA:	49.81000
LogP:	2.37508

Synthetic route

: 1885-29-6
anthranilic acid nitrile

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With N-chloro-succinimide; isopropyl alcohol for 0.25h; Chlorination; Heating;	89%
With N-chloro-succinimide In acetonitrile for 1.5h; Heating;	71%

: 873-38-1
4-chloro-2-bromoaniline

: copper(l) cyanide

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one at 140℃; for 5h;	80%

: 5-chloro-2-(2,5-dimethyl-1H-pyrrol-1-yl)benzonitrile

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With hydroxylamine hydrochloride In ethanol; water at 120℃; for 0.5h; Microwave irradiation;	76%

: 5202-85-7
2-Amino-5-chlorobenzamide

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With phosphorus pentaoxide for 0.5h;	63%

: 1192690-74-6
5-chloro-2-(4-chloro-5H-1,2,3-dithiazol-5-ylideneamino)benzonitrile

A: 1192691-01-2
3-amino-5-chloroindole-2-carbonitrile

B: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With water; triphenylphosphine In dichloromethane at 20℃;	A 32% B 27%

: 75-16-1
methylmagnesium bromide

: 156149-36-9
2-azido-5-chlorobenzonitrile

A: 1262111-20-5
6-chloro-3,4-dihydro-4-imino-3-methyl-1,2,3-benzotriazine

B: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h;	A 31% B 29%

...Expand

: 85124-16-9
5-Chloroisatin 3-oxime

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
at 250℃;

: 34662-31-2
3-chloro-6-nitrobenzonitrile

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With tin(ll) chloride Yield given;
With titanium(III) chloride In water; acetone for 0.5h;
With hydrogen In neat (no solvent) at 110℃; under 15001.5 Torr; for 15h; chemoselective reaction;

: 106-47-8
4-chloro-aniline

: 545-06-2
trichloroacetonitrile

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With boron trichloride; tin(IV) chloride; potassium carbonate 1.) C6H6, reflux, 6 h, 2.) CH3OH, reflux, 2.5 h,; Yield given. Multistep reaction;

: 63069-48-7
p-chloro-o-iodoaniline

CuCN: CuCN

: 5922-60-1
2-amino-5-chlorobenzonitrile

Conditions

Conditions	Yield
With pyridine

Total:104 Page 1 of 3 1 2 3 Next>>

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Specification

The Benzonitrile,2-amino-5-chloro- with the CAS number 5922-60-1 is also called 2-Cyano-4-chloroaniline. Both the systematic name and IUPAC name are 2-amino-5-chlorobenzonitrile. Its molecular formula is C₇H₅ClN₂. The EINECS registry number is 227-651-5. This chemical belongs to the following product categories: (1)Fine Chemical & Intermediates; (2)Anilines, Aromatic Amines and Nitro Compounds; (3)Pharmacetical; (4)Nitriles.

The properties of the Benzonitrile,2-amino-5-chloro- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.27; (6)ACD/BCF (pH 7.4): 34.27; (7)ACD/KOC (pH 5.5): 436.82; (8)ACD/KOC (pH 7.4): 436.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 39.76 cm³; (15)Molar Volume: 114.7 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Enthalpy of Vaporization: 53.03 kJ/mol; (19)Vapour Pressure: 0.00201 mmHg at 25°C.

Uses: This chemical can react with (1,1-dimethoxy-ethyl)-dimethyl-amine to prepare N'-(4-chloro-2-cyano-phenyl)-N,N-dimethyl-acetamidine. This reaction needs solvent cyclohexane at heating condition. The reaction time is 4.5 hours. The yield is 79%.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C#N)c(N)cc1
(2)InChI: InChI=1/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
(3)InChIKey: QYRDWARBHMCOAG-UHFFFAOYAW