1-(5-Methyl-2-thienyl)ethanone
Names
[ CAS No. ]:
13679-74-8
[ Name ]:
1-(5-Methyl-2-thienyl)ethanone
[Synonym ]:
Thiophene, 2-acetyl-5-methyl-
1-(5-Methyl-2-thienyl)ethanone
1-(5-Methyl-2-thienyl)ethanone
2-Acetyl-5-methylthiophene
T5SJ BV1 E1
Ethanone, 1-(5-methyl-2-thienyl)-
1-(5-methylthien-2-yl)ethanone
Methyl 5-methyl-2-thienyl ketone
1-(5-Methyl-2-thienyl)ethan-1-one
1-(5-methylthiophen-2-yl)ethanone
MFCD00014529
EINECS 237-181-2
Ketone, methyl 5-methyl-2-thienyl
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
234.9±20.0 °C at 760 mmHg
[ Melting Point ]:
24-28 °C(lit.)
[ Molecular Formula ]:
C7H8OS
[ Molecular Weight ]:
140.203
[ Flash Point ]:
95.8±21.8 °C
[ Exact Mass ]:
140.029587
[ PSA ]:
45.31000
[ LogP ]:
1.71
[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.536
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- OB4972000
- CHEMICAL NAME :
- Ketone, methyl 5-methyl-2-thienyl
- CAS REGISTRY NUMBER :
- 13679-74-8
- BEILSTEIN REFERENCE NO. :
- 0110854
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H8-O-S
- MOLECULAR WEIGHT :
- 140.21
- WISWESSER LINE NOTATION :
- T5SJ B1 EV1
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 :
- 230 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 5,16,1947
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xn: Harmful;Xi: Irritant;
[ Risk Phrases ]:
R20/21/22
[ Safety Phrases ]:
S36/37-S22
[ RIDADR ]:
UN 3335 9
[ WGK Germany ]:
3
[ RTECS ]:
OB4972000
[ 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. Am. Chem. Soc. 69(12) , 3093-3096, (1947)
Palladium-catalysed direct 3-or 4-arylation of thiophene derivatives using aryl bromides. Dong JJ, et al.
Tetrahedron 50(23) , 2778-2781, (2009)
Efficient guaiazulene and chamazulene syntheses involving [6+4] cycloadditions. Mukherjee D, et al.
J. Am. Chem. Soc. 1010(1) , 251-252, (1979)