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| CAS No.: | 53312-78-0 |
|---|---|
| Name: | 3-AMINO-5-CHLORO-BENZONITRILE |
| Molecular Structure: | |
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| Formula: | C7H5ClN2 |
| Molecular Weight: | 152.583 |
| Synonyms: | 3-Amino-5-chlorobenzonitrile;5-Amino-3-chlorobenzonitrile;5-Cyano-3-chloroaniline; |
| Density: | 1.33 g/cm3 |
| Boiling Point: | 309.023 °C at 760 mmHg |
| Flash Point: | 140.693 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 49.81000 |
| LogP: | 2.37508 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 34662-30-1
1-nitro-3-chloro-5-cyanobenzene
- 53312-78-0
3-amino-5-chloro-benzonitrile
| Conditions | Yield |
|---|---|
| With tin(ll) chloride In N,N-dimethyl-formamide at 20℃; | 40% |
- 53312-78-0
3-amino-5-chloro-benzonitrile
- 1131397-77-7
3-chloro-5-cyano-phenylsulphonyl chloride
| Conditions | Yield |
|---|---|
| Stage #1: 3-amino-5-chloro-benzonitrile With hydrogenchloride; sodium nitrite In water at 0℃; for 0.583333h; Stage #2: With sulfur dioxide; acetic acid; copper dichloride In water at 0℃; for 1.25h; | 97% |
- 13947-76-7
2-isocyano-2-methylbutane
- 53312-78-0
3-amino-5-chloro-benzonitrile
- 150596-95-5
N-(3-Chloro-5-cyanophenyl)-N'-tert-pentylcarbodiimide
| Conditions | Yield |
|---|---|
| With 4 A molecular sieve; silver(l) oxide; nickel dichloride In benzene for 1h; Heating; effectivity of the other catalysts and oxidants; | 86% |
| With 4 A molecular sieve; silver(l) oxide; nickel dichloride In benzene for 1h; Heating; | 86% |
- 5600-21-5
2-amino-6-methyl-4-chloropyrimidine
- 53312-78-0
3-amino-5-chloro-benzonitrile
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water at 140℃; for 1.5h; Microwave irradiation; Sealed tube; | 73% |
- 3303-84-2
3-(tert-butyloxycarbonylamino)propionic acid
- 53312-78-0
3-amino-5-chloro-benzonitrile
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 25℃; for 1h; | 70.8% |
- 75-64-9
tert-butylamine
- 53312-78-0
3-amino-5-chloro-benzonitrile
- 1203655-74-6
N-t-butyl-3-chloro-5-cyano-benzenesulfonamide
| Conditions | Yield |
|---|---|
| Stage #1: 3-amino-5-chloro-benzonitrile With hydrogenchloride; sodium nitrite In water at -5℃; Stage #2: With sulfur dioxide; acetic acid; copper dichloride In water at -10 - 20℃; Stage #3: tert-butylamine With pyridine In tetrahydrofuran at 0 - 20℃; | 52% |
- 53312-78-0
3-amino-5-chloro-benzonitrile
| Conditions | Yield |
|---|---|
| With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; Inert atmosphere; | 25% |
- 1220631-64-0
8-(bis(4-methoxybenzyl)amino)-6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile
- 53312-78-0
3-amino-5-chloro-benzonitrile
- 1220628-11-4
8-amino-6-((3-chloro-5-cyanophenyl)amino)imidazo[1,2-b]pyridazine-3-carbonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 8-(bis(4-methoxybenzyl)amino)-6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile; 3-amino-5-chloro-benzonitrile With copper(l) iodide; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium(0) In ISOPROPYLAMIDE at 125℃; for 13h; Inert atmosphere; Stage #2: With triethylsilane; trifluoroacetic acid In dichloromethane for 1h; | 12.61% |
- 463-71-8
thiophosgene
- 53312-78-0
3-amino-5-chloro-benzonitrile
- 185500-56-5
3-Chloro-5-isothiocyanato-benzonitrile
| Conditions | Yield |
|---|---|
| In ethyl acetate at 75℃; for 1.5h; |
- 53312-78-0
3-amino-5-chloro-benzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 3-amino-5-chloro-benzonitrile With hydrogenchloride; sodium nitrite In ethanol at 0℃; Stage #2: 4-methyl-N'-[(1E)-pyridin-2-ylmethylene]benzenesulfonohydrazide With sodium hydroxide In ethanol at 0℃; |
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Specification
The 3-Amino-5-chlorobenzonitrile, with the CAS registry number 53312-78-0, is also known as 3-Chloro-5-cyanoaniline. Its molecular formula is C7H5ClN2 and its molecular weight is 152.58. Additionally, its IUPAC name is 3-amino-5-chlorobenzonitrile. It belongs to the product categories Amines; Blocks; Carboxes.
Other characteristics of the 3-Amino-5-chlorobenzonitrile can be summarised as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 310; (8)ACD/KOC (pH 7.4): 310; (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: 1.61; (14)Molar Refractivity: 39.765 cm3; (15)Molar Volume: 114.719 cm3; (16)Polarizability: 15.764×10-24cm3; (17)Surface Tension: 59.124 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 140.693 °C; (20)Enthalpy of Vaporization: 54.975 kJ/mol; (21)Boiling Point: 309.023 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(C#N)cc(N)c1
2.InChI: InChI=1/C7H5ClN2/c8-6-1-5(4-9)2-7(10)3-6/h1-3H,10H2
3.InChIKey: JRBVDAQXMNYPHC-UHFFFAOYAM