3-Methyl-2-benzoxazolinone

Modify Date: 2025-08-26 16:50:06

3-Methyl-2-benzoxazolinone Structure
3-Methyl-2-benzoxazolinone structure
Common Name 3-Methyl-2-benzoxazolinone
CAS Number 21892-80-8 Molecular Weight 149.14700
Density 1.273 g/cm3 Boiling Point 238.1ºC at 760 mmHg
Molecular Formula C8H7NO2 Melting Point 82-86 °C
MSDS N/A Flash Point 97.8ºC

 Names

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

 Chemical & Physical Properties

Density 1.273 g/cm3
Boiling Point 238.1ºC at 760 mmHg
Melting Point 82-86 °C
Molecular Formula C8H7NO2
Molecular Weight 149.14700
Flash Point 97.8ºC
Exact Mass 149.04800
PSA 35.14000
LogP 1.13150
Vapour Pressure 0.0433mmHg at 25°C
Index of Refraction 1.584
InChIKey QRMRRLXXFHXMBC-UHFFFAOYSA-N
SMILES Cn1c(=O)oc2ccccc21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM5275450
CHEMICAL NAME :
2-Benzoxazolinone, 3-methyl-
CAS REGISTRY NUMBER :
21892-80-8
BEILSTEIN REFERENCE NO. :
0131018
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H7-N-O2
MOLECULAR WEIGHT :
149.16
WISWESSER LINE NOTATION :
T56 BOVNJ D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
890 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 94,211,1953

 Safety Information

Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases S24/25
RTECS DM5275450
HS Code 2934999090

 Synthetic Route

 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

EINECS 250-319-6
2-BENZOXAZOLINONE,3-METHYL
3-Methyl-2-benzoxazolinone
MFCD00748831
N-Methylbenzoxazolone
3-methyl-2,3-dihydrobenzoxazol-2-one
3-methyl-2-oxo-3H-benzoxazole
3-Methylbenzoxazolone
3-methylbenzo[d]oxazol-2(3H)-one
3-Methyl-2(3H)-benzoxazolone
3-methyl-1,3-benzoxazol-2(3H)-one
3-Methylbenzoxazolinone
3-methyl-3H-benzoxazol-2-one
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