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5-Chloro-3-phenyl-2,1-benzisoxazole

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Name

5-Chloro-3-phenyl-2,1-benzisoxazole

EINECS 211-950-2
CAS No. 719-64-2 Density 1.298 g/cm3
PSA 26.03000 LogP 4.14820
Solubility N/A Melting Point 115-117 °C(lit.)
Formula C13H8 Cl N O Boiling Point 395.4 °C at 760 mmHg
Molecular Weight 229.666 Flash Point 192.9 °C
Transport Information N/A Appearance White to yellow crystal powder
Safety 26-36/37/39 Risk Codes 22 36;37/38
Molecular Structure Molecular Structure of 719-64-2 (5-CHLORO-3-PHENYLANTHRANIL) Hazard Symbols HarmfulXnIrritantXi
Synonyms

3-Phenyl-5-chloro-2,1-benzisoxazole;3-Phenyl-5-chloroanthranil; 5-Chloro-3-phenyl-2,1-benzisoxazole;5-Chloro-3-phenyl-2,1-benzisoxazoles; 5-Chloro-3-phenylanthranil;5-Chloro-3-phenylbenz[c]isoxazole; NSC 405896

Article Data 34

5-Chloro-3-phenyl-2,1-benzisoxazole Synthetic route

384793-16-2

(2-bromo-4-chloro-phenyl)-carbamic acid tert-butyl ester

100-51-6

benzyl alcohol

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With triisopropanolamine; monophosphine 1,2,3,4,5-pentaphenyl-1'-(di-tert-butylphosphino)ferrocene; 2-(tributylstannyl)furan; 2,9-dibromo-1,10-phenanthroline In 1,4-dioxane at 20 - 90℃; for 7h; Temperature; Reagent/catalyst;98%
140-29-4

phenylacetonitrile

100-00-5

4-chlorobenzonitrile

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With sodium hydroxide In ethanol Ambient temperature;94%
With sodium hydroxide In ethanol at 20℃; for 3h;94%
Stage #1: 4-chlorobenzonitrile With sodium hydroxide In methanol; water at 30℃; for 0.5h;
Stage #2: phenylacetonitrile In methanol; water at 40℃; for 2h; Time;
90.5%
719-59-5

2-Amino-5-chlorobenzophenone

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With oxone In water; acetonitrile at 20℃; for 16h; Green chemistry; chemoselective reaction;92%
With caro's acid
53878-93-6

(2-azido-5-chlorophenyl)(phenyl)methanone

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With iron(II) bromide In dichloromethane at 40℃; for 16h; Inert atmosphere; Molecular sieve;90%
In benzene at 126℃; for 3h;65%
In decalin at 125.8℃; for 3h; Rate constant; Kinetics; Thermodynamic data; Ea, δSa; also in presence of 2,6-di-t-butyl-4-methylphenol;65%
Heating;

C13H12ClNO

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With [bis(acetoxy)iodo]benzene; ammonium acetate In toluene at 90℃; for 24h;75%
3112-88-7

Benzyl phenyl sulfone

100-00-5

4-chlorobenzonitrile

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine; magnesium chloride In N,N-dimethyl-formamide for 360h; Ambient temperature;51%
54960-29-1

7-chlor-1-methyl-2-chloromethyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin

A

719-64-2

5-chloro-3-phenylanthranil

B

1088-11-5

desmethyldiazepam

C

439-14-5

diazepam

D

20927-53-1

6-chloro-1-methyl-4-phenyl-2(1H)-quinazolinone

Conditions
ConditionsYield
With potassium permanganate In water at 15℃; for 1.16667h;A 5.1%
B 0.5%
C 41.7%
D 0.6%
52833-15-5

8-chloro-1-hydroxy-6-phenyl-3,4-dihydro-1H-benzo[1,5]diazocin-2-ylideneamine

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With hydrogenchloride
73302-37-1

7-chloro-1-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamine

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With hydrogenchloride
7716-87-2

5-chloro-2-nitro-benzophenone

719-64-2

5-chloro-3-phenylanthranil

Conditions
ConditionsYield
With tin(II) chloride dihdyrate In methanol; ethyl acetate at 20℃; for 24h;
With tin(II) chloride dihdyrate In methanol; ethyl acetate at 20℃;
With tin(II) chloride dihdyrate In methanol; ethyl acetate at 20℃; for 12h;
With tin(II) chloride dihdyrate In methanol; ethyl acetate at 20℃; for 24h;

5-Chloro-3-phenyl-2,1-benzisoxazole Chemical Properties

IUPAC Name: 4-Chloro-3-phenyl-2,1-benzoxazole 
Following is the structure of 2,1-Benzisoxazole,5-chloro-3-phenyl- (CAS NO.719-64-2):
                           
Empirical Formula: C13H8ClNO
Molecular Weight: 229.6617 g/mol
EINECS: 211-950-2
Index of Refraction: 1.643
Molar Refractivity: 63.97 cm3
Molar Volume: 176.8 cm3
Density: 1.298 g/cm3
Flash Point: 192.9 °C
Melting point: 115-117 °C(lit.)
Surface Tension: 49.2 dyne/cm
Enthalpy of Vaporization: 62.03 kJ/mol
Boiling Point: 395.4 °C at 760 mmHg
Vapour Pressure of 2,1-Benzisoxazole,5-chloro-3-phenyl- (CAS NO.719-64-2): 4.21E-06 mmHg at 25 °C
Product Categories of 2,1-Benzisoxazole,5-chloro-3-phenyl- (CAS NO.719-64-2): Halides; Oxazole&Isoxazole; Benzenes; Fused Ring Systems
Canonical SMILES: C1=CC=C(C=C1)C2=C3C(=NO2)C=CC=C3Cl
InChI: InChI=1S/C13H8ClNO/c14-10-7-4-8-11-12(10)13(16-15-11)9-5-2-1-3-6-9/h1-8H
InChIKey: KRTKCZJFVDRDSS-UHFFFAOYSA-N

5-Chloro-3-phenyl-2,1-benzisoxazole Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 22-37/38-36 
R22:Harmful if swallowed. 
R37/38:Irritating to respiratory system and skin. 
R36:Irritating to eyes.
Safety Statements: 26-36/37/39-37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S37:Wear suitable gloves.
WGK Germany: 3
Hazard Note: Irritant

5-Chloro-3-phenyl-2,1-benzisoxazole Specification

 2,1-Benzisoxazole,5-chloro-3-phenyl- , its cas register number is 719-64-2. It also can be called 3-Phenyl-5-chloroanthranil ; 5-Chloro-3-phenyl-2,1-benzisoxazole and 5-Chloro-3-phenylanthranil .

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