Name | 3-Methylthiophene |
Synonyms | 3MT NSC 65439 CCRIS 2937 BRN 0001300 3-Thiotolene 4-Methylthiophene 3-Methylthiophene β-Methylthiophene Thiophene, 3-methyl- 3-Methyl[b]thiophene beta-Methylthiophene 5-17-01-00331 (Beilstein Handbook Reference) |
CAS | 616-44-4 |
EINECS | 210-482-6 |
InChI | InChI=1/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3 |
InChIKey | QENGPZGAWFQWCZ-UHFFFAOYSA-N |
Molecular Formula | C5H6S |
Molar Mass | 98.17 |
Density | 1.016 g/mL at 25 °C (lit.) |
Melting Point | -69 °C (lit.) |
Boling Point | 114 °C/738 mmHg (lit.) |
Flash Point | 52°F |
Water Solubility | insoluble |
Solubility | 0.40g/l |
Vapor Presure | 42.4 mm Hg ( 37.7 °C) |
Appearance | Liquid |
Specific Gravity | 1.016 |
Color | Clear colorless to light yellow |
BRN | 1300 |
Storage Condition | Flammables area |
Refractive Index | n20/D 1.519(lit.) |
Physical and Chemical Properties | Density 1.016 melting point -69°C boiling point 115-117°C refractive index 1.518-1.52 flash point 11°C water-soluble insoluble |
Use | Used as a pharmaceutical Intermediate |
Risk Codes | R11 - Highly Flammable R20/22 - Harmful by inhalation and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R37 - Irritating to the respiratory system |
Safety Description | S7 - Keep container tightly closed. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S7/9 - |
UN IDs | UN 1993 3/PG 2 |
WGK Germany | 3 |
RTECS | XM9800000 |
FLUKA BRAND F CODES | 8-10-13-23 |
TSCA | Yes |
HS Code | 29349990 |
Hazard Note | Flammable/Harmful |
Hazard Class | 3 |
Packing Group | II |
colorless oily liquid. Melting Point -69 °c. Boiling point 115~117 deg C. Flash point 11 °c. Density 1.016g/mL. Insoluble in water, miscible in ethanol, ether, benzene, acetone, chloroform.
for organic synthesis.
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
Use | Used as a pharmaceutical intermediate Reactants for preparing herbicide thienone, starting reagents for preparing disulfide esters and intermediates for synthesizing thienothenothiam can also be used to prepare homopolymers, dopants, photochromic materials, optical recording media and thermally stable photoresponsive materials. Used in pharmaceutical synthesis; raw materials for pesticide synthesis such as pesticides; used to prepare conductive polymer materials |
category | flammable liquid |
toxicity classification | poisoning |
acute toxicity | oral administration-mouse LD50: 1800 mg/kg; Inhalation-mouse LC50: 18g/m3/2 h |
flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; combustion produces toxic sulfur oxide smoke |
storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidants and acids |
fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
occupational standard | STEL 20 mg/m3 |