2,1,3-benzoxadiazole

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Names

[ CAS No. ]:
273-09-6

[ Name ]:
2,1,3-benzoxadiazole

[Synonym ]:
Benz-2,1,3-oxadiazol
2,1,3-Benzoxadiazol
Benzo-2,1,3-oxadiazole
benzofurazane
Benzofurazan
MFCD00068064
Benzo[c][1,2,5]oxadiazole
2,1,3-Benzoxadiazole

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
186.0±23.0 °C at 760 mmHg

[ Melting Point ]:
47-51 °C(lit.)

[ Molecular Formula ]:
C6H4N2O

[ Molecular Weight ]:
120.109

[ Flash Point ]:
70.8±16.6 °C

[ Exact Mass ]:
120.032364

[ PSA ]:
38.92000

[ LogP ]:
1.69

[ Vapour Pressure ]:
0.9±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.620

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM2580000
CHEMICAL NAME :
2,1,3-Benzoxadiazole
CAS REGISTRY NUMBER :
273-09-6
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H4-N2-O
MOLECULAR WEIGHT :
120.12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 12,1277,1978

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
DM2580000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methanesulfonyl chloride
  • 2,1,3-Benzoxadiazole-5-ethanol
  • Benzofuroxan
  • 5-HYDROXYBENZOFURAZAN
  • SodiuM bicarbonate
  • 1,2-Dibromoethane
  • Ethanone, 1-(2,1,3-benzoxadiazol-5-yl)-2-chloro- (9CI)
  • Benzene,1-azido-2-nitro-
  • Benzene, o-dinitroso-

DownStream

  • Benzofuroxan
  • 2,1,3-Benzoxadiazole-4-carbaldehyde
  • 4,7-Dibromobenzo[c][1,2,5]oxadiazole
  • Quinoxaline
  • o-Phenylenediamine
  • Benzo[c][1,2,5]oxadiazole-4-sulfonyl chloride
  • 2,1,3-Benzoxadiazole,4-nitro-
  • 2,1,3-BENZOXADIAZOL-4-YLMETHANOL
  • 3-(2,1,3-benzoxadiazol-4-ylsulfonyl)propanoic acid
  • 5-isocyanatopenta-2,4-dienenitrile

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

  • 5-iodo-2,1,3-benzoxadiazole
  • 5-nitro-2,1,3-benzoxadiazole
  • 5-Cyano-2,1,3-benzoxadiazole
  • 5-Bromo-2,1,3-benzoxadiazole
  • 4-Nitro-2,1,3-benzoxadiazole
  • 5-allyl-2,1,3-benzoxadiazole
  • 4-Chloro-6,8-difluoro-3-iodo-2-methylquinoline
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 5-Chloro-3-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 1-(prop-2-yn-1-yl)-3-(pyrazin-2-yl)-1H-pyrazole-5-carbaldehyde
  • (2-cyclopropyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)(thiophen-3-yl)methanone
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide