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| CAS No.: | 1441-87-8 |
|---|---|
| Name: | salicyloyl chloride |
| Article Data: | 98 |
| Molecular Structure: | |
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|
|
| Formula: | C7H5ClO2 |
| Molecular Weight: | 156.569 |
| Synonyms: | 2-Hydroxybenzoyl chloride;Salicyl chloride;Salicylicacid chloride;o-Hydroxybenzoyl chloride;Salicyloylchloride (6CI,7CI,8CI); |
| EINECS: | 215-881-9 |
| Density: | 1.37 g/cm3 |
| Melting Point: | 19°C |
| Boiling Point: | 251.4 °C at 760 mmHg |
| Flash Point: | 105.9 °C |
| PSA: | 37.30000 |
| LogP: | 1.77120 |
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| Conditions | Yield |
|---|---|
| With thionyl chloride; N,N-dimethyl-formamide In toluene at 50℃; for 2.5h; | 100% |
| With thionyl chloride In 1,2-dichloro-ethane for 2h; Heating; | 100% |
| With thionyl chloride; N,N-dimethyl-formamide at 90℃; for 48h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With toluene |
| Conditions | Yield |
|---|---|
| With thionyl chloride | |
| With thionyl chloride | |
| With phosphorus pentachloride In benzene |
| Conditions | Yield |
|---|---|
| at 20℃; |
| Conditions | Yield |
|---|---|
| With benzene | |
| In benzene |
- 56-23-5
tetrachloromethane
- 108-95-2
phenol
A
- 34888-05-6
(trichloromethoxy)benzene
B
- 17696-62-7
Phenyl 4-hydroxybenzoate
C
- 118-55-8
phenyl Salicylate
D
- 1441-87-8
salicyloyl chloride
| Conditions | Yield |
|---|---|
| for 5h; Irradiation; Yield given. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| for 2h; Heating; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: potassium carbonate / 4 h / Reflux 2.1: sodium dihydrogenphosphate; dihydrogen peroxide; sodium chlorite / water; acetonitrile / 1.5 h / 10 - 20 °C 2.2: 0.08 h 3.1: thionyl chloride / dichloromethane; N,N-dimethyl-formamide / 1 h / 20 °C View Scheme |
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Specification
The Benzoyl chloride,2-hydroxy-, with the CAS registry number 1441-87-8, is also known as Salicyloyl chloride. It belongs to the product category of Acidhalide. Its EINECS registry number is 215-881-9. This chemical's molecular formula is C7H5ClO2 and molecular weight is 156.5664. Its IUPAC name is called 2-hydroxybenzoyl chloride.
Physical properties of Benzoyl chloride,2-hydroxy-: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 44.46; (6)ACD/BCF (pH 7.4): 22.44; (7)ACD/KOC (pH 5.5): 524.38; (8)ACD/KOC (pH 7.4): 264.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 38.37 cm3; (14)Molar Volume: 114.2 cm3; (15)Surface Tension: 51.5 dyne/cm; (16)Density: 1.37 g/cm3; (17)Flash Point: 105.9 °C; (18)Enthalpy of Vaporization: 50.85 kJ/mol; (19)Boiling Point: 251.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0129 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-hydroxy-benzoic acid. This reaction is a kind of Chlorination. In addition, it will need reagent thionyl chloride and solvent benzene with reaction temperature of 80 °C.
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Uses of Benzoyl chloride,2-hydroxy-: it can be used to produce benzo[e][1,3]oxazine-2,4-dione at temperature of 0 °C. The yield is about 79%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)Cl)O
(2)InChI: InChI=1S/C7H5ClO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H
(3)InChIKey: DVIHKVWYFXLBEM-UHFFFAOYSA-N