Introduction：Basic information about CAS 616-44-4|3-Methylthiophene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methylthiophene |
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| CAS Number | 616-44-4 | Molecular Weight | 98.166 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 114.2±9.0 °C at 760 mmHg |
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| Molecular Formula | C5H6S | Melting Point | −69 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 11.1±0.0 °C |
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| Symbol |
GHS02, GHS07 | Signal Word | Danger |
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Names
| Name | 3-Methylthiophene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 114.2±9.0 °C at 760 mmHg |
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| Melting Point | −69 °C(lit.) |
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| Molecular Formula | C5H6S |
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| Molecular Weight | 98.166 |
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| Flash Point | 11.1±0.0 °C |
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| Exact Mass | 98.019020 |
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| PSA | 28.24000 |
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| LogP | 2.36 |
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| Vapour Pressure | 23.8±0.2 mmHg at 25°C |
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| Index of Refraction | 1.531 |
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| InChIKey | QENGPZGAWFQWCZ-UHFFFAOYSA-N |
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| SMILES | Cc1ccsc1 |
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| Water Solubility | insoluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XM9800000
- CHEMICAL NAME :
- Thiophene, 3-methyl-
- CAS REGISTRY NUMBER :
- 616-44-4
- BEILSTEIN REFERENCE NO. :
- 0001300
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C5-H6-S
- MOLECULAR WEIGHT :
- 98.17
- WISWESSER LINE NOTATION :
- T5SJ C1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,87,1982
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 gm/m3/2H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,87,1982
- TYPE OF TEST :
- LC50 - Lethal concentration, 50 percent kill
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 18 gm/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 20 mg/m3 JAN 1993
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Danger |
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| Hazard Statements | H225-H302-H332 |
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| Precautionary Statements | P210 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | F:Flammable |
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| Risk Phrases | R11;R20/22;R36/37/38 |
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| Safety Phrases | S7-S16-S29-S33-S36-S37/39-S26 |
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| RIDADR | UN 1993 3/PG 2 |
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| WGK Germany | 3 |
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| RTECS | XM9800000 |
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| Packaging Group | II |
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| Hazard Class | 3 |
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| HS Code | 29349990 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Articles2
More Articles
| Simultaneous determination of naphthol isomers at poly(3-methylthiophene)-nano-Au modified electrode with the enhancement of surfactant. Mater. Sci. Eng. C. Mater. Biol. Appl. 53 , 36-42, (2015) A polymer film incorporated gold nanoparticle modified electrode was fabricated. The fabricated process involved eletrodeposition of gold nanoparticles and electropolymerization of the 3-methylthiophe... | |
J. Am. Chem. Soc. 117 , 233, (1995)
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Synonyms
| 3-methyl thiophene |
| 3-Methyl-thiophen |
| Methylthiophene |
| 3-methyl-4-thiopheneboronic acid |
| 4-methyl-thiophen-3-ylboronic acid |
| 4-methylthiophene |
| 3-methylthiene |
| MFCD00005470 |
| 4-Methyl-3-thienylboronic acid |
| 3-Methylthiophene |
| Thiophene, 3-methyl- |
| EINECS 210-482-6 |
| 4-Methyl-3-thiopheneboronic acid |
| 4-methylthiophen-3-yl-3-boronic acid |
| 3-METHYL-THIOPHENE |
