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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 | Hazard Symbols | XnXi | |
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 |
(2-bromo-4-chloro-phenyl)-carbamic acid tert-butyl ester
benzyl alcohol
5-chloro-3-phenylanthranil
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With oxone In water; acetonitrile at 20℃; for 16h; Green chemistry; chemoselective reaction; | 92% |
With caro's acid |
(2-azido-5-chlorophenyl)(phenyl)methanone
5-chloro-3-phenylanthranil
Conditions | Yield |
---|---|
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; |
5-chloro-3-phenylanthranil
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene; ammonium acetate In toluene at 90℃; for 24h; | 75% |
Conditions | Yield |
---|---|
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% |
7-chlor-1-methyl-2-chloromethyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin
A
5-chloro-3-phenylanthranil
B
desmethyldiazepam
C
diazepam
D
6-chloro-1-methyl-4-phenyl-2(1H)-quinazolinone
Conditions | Yield |
---|---|
With potassium permanganate In water at 15℃; for 1.16667h; | A 5.1% B 0.5% C 41.7% D 0.6% |
8-chloro-1-hydroxy-6-phenyl-3,4-dihydro-1H-benzo[1,5]diazocin-2-ylideneamine
5-chloro-3-phenylanthranil
Conditions | Yield |
---|---|
With hydrogenchloride |
7-chloro-1-oxy-5-phenyl-3H-benzo[e][1,4]diazepin-2-ylamine
5-chloro-3-phenylanthranil
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
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; |
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
Hazard Codes: Xn,Xi
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
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 .