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| CAS No.: | 719-64-2 |
|---|---|
| Name: | 5-CHLORO-3-PHENYLANTHRANIL |
| Article Data: | 34 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H8 Cl N O |
| Molecular Weight: | 229.666 |
| 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 |
| EINECS: | 211-950-2 |
| Density: | 1.298 g/cm3 |
| Melting Point: | 115-117 °C(lit.) |
| Boiling Point: | 395.4 °C at 760 mmHg |
| Flash Point: | 192.9 °C |
| Appearance: | White to yellow crystal powder |
| Hazard Symbols: |
 Xn Xi
|
| Risk Codes: | 22 36;37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.03000 |
| LogP: | 4.14820 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 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 | 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 |
- 53878-93-6
(2-azido-5-chlorophenyl)(phenyl)methanone
- 719-64-2
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; |
- 719-64-2
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% |
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | 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; |
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Chemistry
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):
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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
Safety Profile
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
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 .