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| CAS No.: | 5418-93-9 |
|---|---|
| Name: | 6-CHLORO-1H-BENZO[D]IMIDAZOL-2-AMINE |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C7H6ClN3 |
| Molecular Weight: | 167.598 |
| Synonyms: | 1H-Benzimidazol-2-amine,5-chloro- (9CI);Benzimidazole, 2-amino-5(or 6)-chloro- (7CI);Benzimidazole,2-amino-5-chloro- (8CI);2-Amino-5-chloro-1H-benzimidazole;2-Amino-5-chlorobenzimidazole;2-Amino-6-chlorobenzimidazole;5-Chloro-2-aminobenzimidazole;5-Chloro-2-benzimidazolamine;5-Chlorobenzoimidazol-2-ylamine;NSC 10545; |
| Density: | 1.533 g/cm3 |
| Melting Point: | 167-168 °C |
| Boiling Point: | 402.5 °C at 760 mmHg |
| Flash Point: | 197.3 °C |
| PSA: | 54.70000 |
| LogP: | 2.37970 |
- 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
- 1184-90-3
aminoiminomethanesulfonic acid
- 95-83-0
4-Chloro-1,2-phenylenediamine
- 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine
| Conditions | Yield |
|---|---|
| at 60℃; | 97% |
| Conditions | Yield |
|---|---|
| In ethanol; water at 70℃; for 1h; | 87% |
| In methanol; water at 50℃; for 1h; | 82% |
| With water |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dihydrogen peroxide In water at 20℃; for 1.5h; | 72% |
| With hydrogenchloride; dihydrogen peroxide In water at 20℃; for 1.5h; | 72% |
| With hydrogenchloride; water; dihydrogen peroxide |
- 506-68-3
bromocyane
- 95-83-0
4-Chloro-1,2-phenylenediamine
A
- 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine
B
- 5418-93-9
6-chloro-1H-benzoimidazol-2-amine
| Conditions | Yield |
|---|---|
| In methanol; water at 60℃; for 3h; Sealed tube; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tin(ll) chloride / ethyl acetate; ethanol / 16 h / 80 °C 2: 70 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: iron; ammonium chloride / ethanol; water / 1 h / 90 °C 2: 70 °C View Scheme |
- 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine
- Polymer, oxidized, degree of functionalization: -CHO 2.607 mmole/g, -CH2Cl 0.258 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent
Polymer, oxidized, degree of functionalization: -CHO 2.607 mmole/g, -CH2Cl 0.258 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent
- Polymer, oxidized, grafted by 2-amino-5(6)-chlorobenzimidazole, degree of functionalization: -CH=N-Het 1,661 mmol/g, -CHO 0.300 mmole/g, -CH2Cl 0.195 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent
Polymer, oxidized, grafted by 2-amino-5(6)-chlorobenzimidazole, degree of functionalization: -CH=N-Het 1,661 mmol/g, -CHO 0.300 mmole/g, -CH2Cl 0.195 mmole/g; Monomer(s): chloromethylated styrene 93 percent; divinylbenzene 7 percent
| Conditions | Yield |
|---|---|
| condensation; | 84.76% |
- 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine
- 219635-54-8
3β-acetoxy-16-formyl-17-acetamido-androst-5,16-diene
| Conditions | Yield |
|---|---|
| With copper(l) iodide In N,N-dimethyl-formamide at 110℃; for 5h; Inert atmosphere; | 82% |
- 100-48-1
pyridine-4-carbonitrile
- 683-08-9
Diethyl methylphosphonate
- 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine
- 446-52-6
2-Fluorobenzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: pyridine-4-carbonitrile; Diethyl methylphosphonate With n-butyllithium In tetrahydrofuran; hexane at -78 - -50℃; for 0.5h; Stage #2: 2-Fluorobenzaldehyde In tetrahydrofuran; hexane at -50 - 0℃; for 0.75h; Stage #3: 5-chloro-1H-benzo[d]imidazol-2-amine In tetrahydrofuran; N,N-dimethyl-formamide for 8h; Heating; | 76% |
- 5418-93-9
5-chloro-1H-benzo[d]imidazol-2-amine
- 624-83-9
methyl isocyanate
- 84388-89-6
2-Amino-5-chloro-benzoimidazole-1-carboxylic acid methylamide
| Conditions | Yield |
|---|---|
| In acetone at -30℃; for 4h; | 70% |
- Total:33 Page 1 of 1 1
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Specification
The 1H-Benzimidazol-2-amine,6-chloro-, with the CAS registry number 5418-93-9, is also known as 2-Amino-6-chlorobenzimidazole. It belongs to the product categories of Benzimidazole; Pharmacetical; Imidazol & Benzimidazole. This chemical's molecular formula is C7H6ClN3 and molecular weight is 167.6. Its IUPAC name is called 6-chloro-1H-benzimidazol-2-amine.
Physical properties of 1H-Benzimidazol-2-amine,6-chloro-: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 13.95; (7)ACD/KOC (pH 5.5): 24.19; (8)ACD/KOC (pH 7.4): 222.03; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)Index of Refraction: 1.777; (12)Molar Refractivity: 45.75 cm3; (13)Molar Volume: 109.3 cm3; (14)Surface Tension: 79.6 dyne/cm; (15)Density: 1.533 g/cm3; (16)Flash Point: 197.3 °C; (17)Enthalpy of Vaporization: 65.37 kJ/mol; (18)Boiling Point: 402.5 °C at 760 mmHg; (19)Vapour Pressure: 1.09E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=N2)N
(2)InChI: InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
(3)InChIKey: PDOCNPCPPLPXRV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 112mg/kg (112mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12521, |