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| CAS No.: | 70810-24-1 |
|---|---|
| Name: | 1,7-Dichloroisoquinoline |
| Molecular Structure: | |
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| Formula: | C9H5Cl2N |
| Molecular Weight: | 198.051 |
| Synonyms: | Isoquinoline, 1,7-dichloro-; |
| Density: | 1.407 g/cm3 |
| Melting Point: | 138 °C |
| Boiling Point: | 316 °C at 760 mmHg |
| Flash Point: | 174.2 °C |
| PSA: | 12.89000 |
| LogP: | 3.54160 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
- 70810-24-1
1,7-dichloroisoquinoline
| Conditions | Yield |
|---|---|
| With trichlorophosphate |
- 59647-24-4
isoquinoline-1,7-diol
- 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate
- 70810-24-1
1,7-dichloroisoquinoline
| Conditions | Yield |
|---|---|
| at 165℃; |
- 70810-26-3
7-chloroisoquinoline 2-oxide
- 70810-24-1
1,7-dichloroisoquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: p-toluenesulfonyl chloride / N,N-dimethyl-formamide / 80 °C 2: thionyl chloride; N,N-dimethyl-formamide / toluene / 3 h / 80 °C View Scheme |
- 24188-74-7
7-chloroisoquinolin-1-ol
- 70810-24-1
1,7-dichloroisoquinoline
| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide In toluene at 80℃; for 3h; | |
| With thionyl chloride; N,N-dimethyl-formamide In toluene at 80℃; for 3h; |
- 70810-24-1
1,7-dichloroisoquinoline
- 57260-71-6
1-t-Butoxycarbonylpiperazine
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 110℃; for 5h; Inert atmosphere; | 93% |
| With potassium carbonate In dimethyl sulfoxide at 120℃; for 5.5h; | 73% |
- 70810-24-1
1,7-dichloroisoquinoline
- 121-57-3
4-aminobenzene sulfonic acid
| Conditions | Yield |
|---|---|
| In ethanol; water at 80℃; | 84% |
- 70810-24-1
1,7-dichloroisoquinoline
- 67515-76-8
methyl 5-amino-2-pyridinecarboxylate
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 130 - 140℃; | 76% |
- 70810-24-1
1,7-dichloroisoquinoline
- 2759-28-6
1-phenylmethylpiperazine
| Conditions | Yield |
|---|---|
| at 150℃; for 3h; | 71% |
| at 150℃; for 3h; | 71% |
- 70810-24-1
1,7-dichloroisoquinoline
- 303780-52-1
N-(3-aminophenylsulfonyl)benzylamine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 130℃; | 61% |
- 70810-24-1
1,7-dichloroisoquinoline
- 14959-32-1
6-chloro-N-methylpyridazin-3-amine
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 130℃; Inert atmosphere; | 53% |
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Specification
The 1, 7-Dichloroisoquinoline, with the CAS registry number 70810-24-1, is also known as Isoquinoline, 1,7-dichloro-. This chemical's molecular formula is C9H5Cl2N and molecular weight is 198.051. What's more, its systematic name is 1, 7-Dichloroisoquinoline.
Physical properties about 1, 7-Dichloroisoquinoline are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 3.4; (5)ACD/BCF (pH 5.5): 226.93; (6)ACD/BCF (pH 7.4): 226.95; (7)ACD/KOC (pH 5.5): 1690.24; (8)ACD/KOC (pH 7.4): 1690.35; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 51.97 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 20.6×10-24 cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.407 g/cm3; (19)Flash Point: 174.2 °C; (20)Enthalpy of Vaporization: 53.51 kJ/mol; (21)Boiling Point: 316 °C at 760 mmHg; (22)Vapour Pressure: 0.000782 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc1ccnc(Cl)c1c2
(2) InChI: InChI=1/C9H5Cl2N/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
(3) InChIKey: NRBSVPXPMBQUGX-UHFFFAOYAQ