2-Benzoxazolinone

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Names

[ CAS No. ]:
59-49-4

[ Name ]:
2-Benzoxazolinone

[Synonym ]:
1,3-Benzoxazol-2(3H)-one
Benzoxazolinone
MFCD00005716
2-Benzoxaxolol
Benzoxazole-2-ol
2-Benzoxazolol
BENZOXAZOLONE
3H-benzoxazol-2-one
2(3H)-Benzoxazolone
2-BENZOXAZOLONE
USAF ek-5429
2,3-dihydrobenzoxazol-2-one
benzoxazol-2-one
2-oxo-2,3-dihydrobenzoxazole
EINECS 200-430-0
2-Benzoxazolinone
3H-benzooxazol-2-one

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
299ºC at 760 mmHg

[ Melting Point ]:
137-139 °C(lit.)

[ Molecular Formula ]:
C7H5NO2

[ Molecular Weight ]:
135.120

[ Flash Point ]:
160 °C

[ Exact Mass ]:
135.032028

[ PSA ]:
46.00000

[ LogP ]:
1.16

[ Index of Refraction ]:
1.586

[ Water Solubility ]:
soluble in hot water

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4905000
CHEMICAL NAME :
2-Benzoxazolinone
CAS REGISTRY NUMBER :
59-49-4
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H5-N-O2
MOLECULAR WEIGHT :
135.13
WISWESSER LINE NOTATION :
T56 BMVOJ

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 :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),341,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
554 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(8),36,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
3892 mg/m3
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 31(8),36,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993

Safety Information

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S36-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
DM4905000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Triphosgene
  • aminophenol
  • o-Nitrophenol
  • carbon monoxide
  • Salicylamide
  • phosgene
  • ethyl 2-ureidophenylcarbonate
  • Salicylic acid
  • 3-Acetyl-2-benzoxazolinone
  • ethyl 2-oxo-1,3-benzoxazole-3-carboxylate

DownStream

  • 10-(2,4-dinitro-phenyl)-3-nitro-phenoxazine
  • 3-(2,4-dinitrophenyl)-1,3-benzoxazol-2-one
  • 6-(4-nitrobenzoyl)-3H-1,3-benzoxazol-2-one
  • 3-Propionyl-2-benzoxazolinone
  • N-butyl-2-oxo-1,3-benzoxazole-3-carboxamide
  • 4-[2-(2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzaldehyde
  • 6-Nitro-3H-benzooxazol-2-one
  • 2,3-dihydro-2-oxobenzoxazole-6-sulphonamide
  • (6-NITRO-2-OXO-1,3-BENZOXAZOL-3(2H)-YL)ACETIC ACID
  • 3-ethenyl-1,3-benzoxazol-2-one

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%

Related Compounds

  • 2-BENZOXAZOLINONE,6-BROMO
  • 2-BENZOXAZOLINONE,3-ETHYL
  • 3-Allyl-2-benzoxazolinone
  • 5-Bromo-2-benzoxazolinone
  • 2-Benzoxazolinone,6-ethyl
  • 6-Benzyl-2-benzoxazolinone
  • 2-(3-Bromopropyl)thiolane
  • 4-Ethyl-5-methyl-1-(methylamino)hexane-2,4-diol
  • 2-[4-(Propan-2-yl)phenyl]oxetan-3-one
  • 1-Bromo-4-methoxy-2,5-dimethylhexane
  • 5-(Pyridazin-3-yl)pyrazin-2-ol
  • 1,4-Dibromo-7-tert-butylisoquinoline
  • 1-Bromo-4,4-difluorohexane
  • 6-Chloro-4,5-dimethylhex-1-ene
  • 1-(3-Methylphenyl)-3-(oxiran-2-yl)propan-1-ol
  • 2-(Bromomethyl)-5-ethyl-1,3-oxazole
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