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CAS No.: | 21725-69-9 | ||||||||
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Name: | BENZO[D]ISOXAZOL-3-OL | ||||||||
Article Data: | 17 | ||||||||
Molecular Structure: | |||||||||
Formula: | C7H5 N O2 | ||||||||
Molecular Weight: | 135.122 | ||||||||
Synonyms: | 1,2-Benzisoxazol-3-ol(7CI,8CI); 1,2-Benzisoxazolin-3-one; 3-Hydroxy-1,2-benzisoxazole;3-Hydroxybenzisoxazole; Benzo[d]isoxazol-3-ol; Benzo[d]isoxazol-3-one; NSC683715 | ||||||||
Density: | 1.379g/cm3 | ||||||||
Melting Point: | 140-142°C | ||||||||
Boiling Point: | 299.867ºC at 760 mmHg | ||||||||
Flash Point: | 135.155ºC | ||||||||
Hazard Symbols: | |||||||||
Risk Codes: | 36/37/38 | ||||||||
Safety: |
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PSA: | 46.26000 | ||||||||
LogP: | 1.53340 |
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Molecule structure of 1,2-Benzisoxazol-3-ol (CAS NO.21725-69-9):
IUPAC Name: 1,2-Benzoxazol-3-one
Molecular Weight: 135.1201 [g/mol]
Molecular Formula: C7H5NO2
Index of Refraction: 1.664
Molar Refractivity: 36.368 cm3
Molar Volume: 97.997 cm3
Surface Tension: 61.335 dyne/cm
Density: 1.379 g/cm3
Melting Point: 140-142 °C
Flash Point: 135.155 °C
Enthalpy of Vaporization: 56.148 kJ/mol
Boiling Point: 299.867 °C at 760 mmHg
Vapour Pressure: 0.001 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Tautomer Count: 2
Exact Mass: 135.032028
MonoIsotopic Mass: 135.032028
Topological Polar Surface Area: 38.3
Heavy Atom Count: 10
Canonical SMILES: C1=CC=C2C(=C1)C(=O)NO2
InChI: InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKey: QLDQYRDCPNBPII-UHFFFAOYSA-N
Product Categories of 1,2-Benzisoxazol-3-ol (CAS NO.21725-69-9): Fused Ring Systems
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | oral | 3100mg/kg (3100mg/kg) | Pharmacological Research Communications. Vol. 3, Pg. 385, 1971. | |
rat | LD50 | oral | 2650mg/kg (2650mg/kg) | Pharmacological Research Communications. Vol. 3, Pg. 385, 1971. |
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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.
RTECS: DE4933500
1,2-Benzisoxazol-3-ol (CAS NO.21725-69-9) is also named as 1,2-Benzisoxazolin-3-one ; 3-Hydroxybenzisoxazole ; 1,2-Benzisoxazol-3(2H)-one ; 1,2-Benzisoxazol-3-ol (8CI) ; 3-Hydroxy-1,2-benzisoxazole .