3-Methylthiophene

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Names

[ CAS No. ]:
616-44-4

[ Name ]:
3-Methylthiophene

[Synonym ]:
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

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
114.2±9.0 °C at 760 mmHg

[ Melting Point ]:
−69 °C(lit.)

[ Molecular Formula ]:
C₅H₆S

[ Molecular Weight ]:
98.166

[ Flash Point ]:
11.1±0.0 °C

[ Exact Mass ]:
98.019020

[ PSA ]:
28.24000

[ LogP ]:
2.36

[ Vapour Pressure ]:
23.8±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.531

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

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 DATA

ACUTE 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

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H302-H332

[ Precautionary Statements ]:
P210

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
F:Flammable

[ Risk Phrases ]:
R11;R20/22;R36/37/38

[ Safety Phrases ]:
S7-S16-S29-S33-S36-S37/39-S26

[ RIDADR ]:
UN 1993 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XM9800000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
29349990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Thienylmethanol
carbon monoxide
3-Bromothiophene
isoprene
is(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct
Vinyl chloride
Propyne
trans-2-Methyl-2-butenal
Thiophene(SIV)
dimethylfluoronium ion

DownStream

6-phenylthieno[2,3-b]pyridine
3-Methyltetrahydrothiophene
2-Bromo-3-(bromomethyl)thiophene
6-Methyl-1,4-naphthoquinone
3-thenyl bromide
4-Methyl-2-thiophenecarbaldehyde
3-Methylthiophene-2-aldehyde
4-Methyl-2-phenylthiophene
3-methyl-2-phenylthiophene

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

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)