ChemicalBook--->CAS DataBase List--->616-44-4

616-44-4

616-44-4 Structure

616-44-4 Structure
IdentificationMore
[Name]

3-Methylthiophene
[CAS]

616-44-4
[Synonyms]

3-METHYLTHIOPHENE
3MT
3-methyl-thiophen
3-Thiotolene
beta-methylthiophene
Methyl-3-thiophene
3-Methylthiophene,98%
3-Methylthiophene, 99+%
Thiophene, 3-methyl-
4-Methylthiophene
β-Methylthiophene
[EINECS(EC#)]

210-482-6
[Molecular Formula]

C5H6S
[MDL Number]

MFCD00005470
[Molecular Weight]

98.17
[MOL File]

616-44-4.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-69 °C (lit.)
[Boiling point ]

114 °C/738 mmHg (lit.)
[density ]

1.016 g/mL at 25 °C(lit.)
[vapor pressure ]

42.4 mm Hg ( 37.7 °C)
[refractive index ]

n20/D 1.519(lit.)
[Fp ]

52 °F
[storage temp. ]

Flammables area
[solubility ]

0.40g/l
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.016
[Water Solubility ]

insoluble
[Detection Methods]

GC,NMR
[BRN ]

1300
[Stability:]

Volatile
[InChI]

1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3
[InChIKey]

QENGPZGAWFQWCZ-UHFFFAOYSA-N
[SMILES]

Cc1ccsc1
[LogP]

2.340
[Uses]

Thiophene, 2-methyIthiopheney and 3-methylthiophene act as inhibitors for the polymerization of trichloroethylene in a solvent used for the degreasing of iron and aluminum, said polymerization being catalyzed by contact of the solvent with the metals. Bonz, in 1885, reported the formation of a dichloroethylthiophene from chlorination of 2-ethylthiophene in the cold. Is Opolski studied the chlorination of 2- and 3-methylthiophenes, 2-ethyl- and 2-butylthiophene and reported constants for the monochloro derivatives. Voerman has chlorinated 3-methylthiophene in the side chain with phosphorus trichloride in the sunlight, but concurrent ring chlorination predominates. 3-Methylthiophene gives a unique reaction with alkyl- or arylsodium in which the substitution takes place exclusively in the 5-position rather than in the expected 2-position.
[CAS DataBase Reference]

616-44-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Thiophene, 3-methyl-(616-44-4)
[Storage Precautions]

Light sensitive;Air sensitive
[EPA Substance Registry System]

616-44-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H225
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

F,Xn,Xi
[Risk Statements ]

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 Statements ]

S7:Keep container tightly closed .
S16:Keep away from sources of ignition-No smoking .
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:Keep container tightly closed and in a well-ventilated place .
[RIDADR ]

UN 1993 3/PG 2
[WGK Germany ]

3
[RTECS ]

XM9800000
[F ]

8-10-13-23
[Hazard Note ]

Flammable/Harmful
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29349990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

3-Thiopheneacetic acid-->4-Bromo-1,1-bis(3-methyl-2-thienyl)-1-butene-->4-Bromo-1,1-bis-(3-methyl-thiophen-2-yl)-butan-1-ol ,97%-->3-Methylthiophene-2-boronic acid-->Methyl 2,5-dichlorothiophene-3-carboxylate-->2-Acetyl-4-methylthiophene-->2,5-Dichlorothiophene-3-carbonyl chloride-->2,4-Dimethylthiophene-->2,5-Dichlorothiophene-3-carboxylic acid-->3-Methylthiophene-2-carbonyl chloride-->2-Acetyl-3-methylthiophene-->4-Methylthiophene-2-carboxaldehyde-->Methoprene-->2,5-Dichloro-3-methylthiophene-->3-Hydroxy-4-Methyl-2(5H)-thiophenone-->3-Methylthiophene-2-boronic acid pinacol ester-->Ethyl 3-methylthiophene-2-glyoxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methylthiophene(616-44-4).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Definition]

ChEBI: 3-Methylthiophene is a member of thiophenes.
[Purification Methods]

Dry it with Na2SO4, then distil it from sodium. [Beilstein 17 III/IV 277, 17/1 V 331.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylthiophene(616-44-4)MS
3-Methylthiophene(616-44-4)1HNMR
3-Methylthiophene(616-44-4)13CNMR
3-Methylthiophene(616-44-4)IR1
3-Methylthiophene(616-44-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Methylthiophene, 99+%(616-44-4)
[Alfa Aesar]

3-Methylthiophene, 98+%(616-44-4)
[Sigma Aldrich]

616-44-4(sigmaaldrich)
[TCI AMERICA]

3-Methylthiophene,>98.0%(GC)(616-44-4)
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