Benzoxazole
Names
[ CAS No. ]:
273-53-0
[ Name ]:
Benzoxazole
[Synonym ]:
1,3-Benzoxazole
benzoxazoline
Benzoxazole
benzoxazol
Benzo[d]oxazole
1-Oxa-3-aza-1H-indene
USAF EK-5017
1-Oxa-3-azaindene
1,4-benzoxazole
Benzooxazole
EINECS 205-988-9
benz<b>oxazole
MFCD00005765
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
182.5±9.0 °C at 760 mmHg
[ Melting Point ]:
27-30 °C(lit.)
[ Molecular Formula ]:
C7H5NO
[ Molecular Weight ]:
119.121
[ Flash Point ]:
65.3±14.6 °C
[ Exact Mass ]:
119.037117
[ PSA ]:
26.03000
[ LogP ]:
1.59
[ Vapour Pressure ]:
1.1±0.3 mmHg at 25°C
[ Index of Refraction ]:
1.609
[ Water Solubility ]:
Insoluble
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DM4375000
- CHEMICAL NAME :
- Benzoxazole
- CAS REGISTRY NUMBER :
- 273-53-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H5-N-O
- MOLECULAR WEIGHT :
- 119.13
- WISWESSER LINE NOTATION :
- T56 BN DOJ
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 :
- 750 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),336,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 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),336,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 179 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 105,486,1952
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302-H315-H319-H335
[ Precautionary Statements ]:
P261-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves
[ Hazard Codes ]:
F:Flammable;Xn:Harmful;
[ Risk Phrases ]:
R11;R22;R36/37/38
[ Safety Phrases ]:
S26-S36/37/39-S37/39
[ RIDADR ]:
1325
[ WGK Germany ]:
3
[ RTECS ]:
DM4375000
[ Packaging Group ]:
III
[ Hazard Class ]:
4.1
[ HS Code ]:
2934999090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
J. Med. Chem. 51 , 3720-30, (2008)
Partition coefficients were measured for 47 compounds in the hexadecane/water ( P hxd) and 1-octanol/water ( P oct) systems. Some types of hydrogen bond acceptor presented by these compounds to the pa...