Benzo[d]isoxazol-3-ol

Modify Date: 2025-08-26 12:38:52

Benzo[d]isoxazol-3-ol Structure
Benzo[d]isoxazol-3-ol structure
Common Name Benzo[d]isoxazol-3-ol
CAS Number 21725-69-9 Molecular Weight 135.120
Density 1.4±0.1 g/cm3 Boiling Point 299.9±13.0 °C at 760 mmHg
Molecular Formula C7H5NO2 Melting Point 140-142ºC
MSDS N/A Flash Point 135.2±19.8 °C

 Names

Name 1,2-benzoxazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 299.9±13.0 °C at 760 mmHg
Melting Point 140-142ºC
Molecular Formula C7H5NO2
Molecular Weight 135.120
Flash Point 135.2±19.8 °C
Exact Mass 135.032028
PSA 46.26000
LogP 0.89
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.664
InChIKey QLDQYRDCPNBPII-UHFFFAOYSA-N
SMILES O=c1[nH]oc2ccccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE4933500
CHEMICAL NAME :
1,2-Benzisoxazol-3(2H)-one
CAS REGISTRY NUMBER :
21725-69-9
LAST UPDATED :
198702
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H5-N-O2
MOLECULAR WEIGHT :
135.13
WISWESSER LINE NOTATION :
T56 BOMVJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 3,385,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 3,385,1971

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36/37/39
RTECS DE4933500
HS Code 2934999090

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

3-Hydroxybenzisoxazole
1,2-Benzisoxazol-3(2H)-one
3-Hydroxy-1,2-benzisoxazole
1,2-benzisoxazol-3-ol
1,2-Benzisoxazol-3-ol 1,2-Benzisoxazolin-3-one 3-Hydroxy-1,2-benzisoxazole Benzo[d]isoxazol-3-ol
Benzo[d]isoxazol-3-ol
1,2-benzoxazol-3-ol
1,2-Benzoxazol-3(2H)-one
MFCD00125030
1,2-Benzisoxazolin-3-one
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