CAS No.638-02-8,2,5-Dimethylthiophene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	638-02-8
Name:	2,5-Dimethylthiophene
Article Data:	50

Formula:	C₆H₈S
Molecular Weight:	112.196
Synonyms:	2,5-Dimethylthiophene;NSC 60689;
EINECS:	211-313-9
Density:	1.006
Melting Point:	-63°C
Boiling Point:	136.8 ºC at 760 mmHg
Flash Point:	23.9 ºC
Solubility:	Insoluble in water. Soluble in alcohol, ether and benzene.
Appearance:	clear colorless to slightly yellow liquid
Hazard Symbols:	Xn；F；Xi
Risk Codes:	R10
Safety:	S16
Transport Information:	UN 1993 3/PG 3
PSA:	28.24000
LogP:	2.36490

Synthetic route

: 13679-70-4
5-methylthiophene-2-carboxaldehyde

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
Stage #1: 5-methylthiophene-2-carboxaldehyde With hydrazine hydrate Wolff-Kishner-Huang Minlon Reduction; Stage #2: With potassium hydroxide	96%
With potassium hydroxide; hydrazine hydrate; ethylene glycol
With potassium hydroxide; hydrazine

: 110-13-4
2,5-hexanedione

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With Lawessons reagent at 140℃; for 1h;	87%
With diphosphorus pentasulfide In tetrachloromethane for 4h; Heating;	76%
With diphosphorus trisulfide

: 625-86-5
2,5-dimethylfuran

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen sulfide In acetic acid Ambient temperature; further acids, solvents;	80%
With hydrogenchloride; zinc sulfide In ethanol at 40℃; Product distribution; Further Variations:; Temperatures; Reagents; concentrations of reagents; time; Substitution;	80%
With hydrogenchloride; zinc sulfide In ethanol at 40℃; Substitution;	80%

: 188290-36-0
thiophene

: 624-92-0
Dimethyldisulphide

A: 554-14-3
2-Methylthiophene

B: 1795-04-6
2,3,4-trimethylthiophene

C: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With zeolite HZSM-5 at 300℃; under 760.051 Torr; for 0.00236111h; Time; Flow reactor;	A 19% B 18% C 12%
With HZSM-5 zeolite (SiO2/Al2O3 = 34) at 300℃; under 760.051 Torr; for 2h; Catalytic behavior; Temperature; Flow reactor; Gas phase; Inert atmosphere;

...Expand

: 554-14-3
2-Methylthiophene

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With iodine; mercury(II) oxide Behandeln mit Methyljodid und Natrium in Aether;
Multi-step reaction with 2 steps 1: Einleiten von Bromdaempfen 2: sodium View Scheme
Multi-step reaction with 2 steps 1: trichlorophosphate / 20 °C 2: hydrazine hydrate View Scheme

: 765-58-2
2-bromo-5-methyl thiophene

: 74-88-4
methyl iodide

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With sodium

: 131392-02-4
5-methyl-thiophene-2-carbaldehyde semicarbazone

: 638-02-8
2,5-DIMETHYLTHIOPHENE

: 592-46-1
hexa-2,4-diene

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With sulfur at 420℃;

: 74-86-2
acetylene

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
at 650 - 670℃; beim Durchleiten mit Leuchtgas und Schwefelwasserstoff durch Roehren aus Marquardtscher Masse;

: 592-43-8
2-hexene

: 638-02-8
2,5-DIMETHYLTHIOPHENE

Conditions

Conditions	Yield
With sulfur at 420℃;

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Specification

The 2,5-Dimethylthiophene, with the cas registry number 638-02-8, has its systematic name of 2,5-dimethylthiophene. This is a kind of colorless to slightly yellow liquid. And its product categories are including Thiophene&Benzothiophene; Heterocyclic Compounds; Thiophens; thiophene Flavor; Building Blocks; Heterocyclic Building Blocks; Thiophenes; Alphabetical Listings; C-D; Flavors and Fragrances.

The characteristics of this chemical are as below: (1)ACD/LogP: 2.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.38; (6)ACD/BCF (pH 7.4): 81.38; (7)ACD/KOC (pH 5.5): 811.24; (8)ACD/KOC (pH 7.4): 811.24; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 28.24; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 34.28 cm³; (13)Molar Volume: 111.4 cm³; (14)Polarizability: 13.59 ×10^-24 cm³; (15)Surface Tension: 32.2 dyne/cm; (16)Density: 1.006 g/cm³; (17)Flash Point: 23.9 °C; (18)Enthalpy of Vaporization: 35.87 kJ/mol; (19)Boiling Point: 136.8 °C at 760 mmHg; (20)Vapour Pressure: 8.98 mmHg at 25°C; (21)Exact Mass: 112.034671; (22)MonoIsotopic Mass: 112.034671; (23)Topological Polar Surface Area: 28.2; (24)Heavy Atom Count: 7; (25)Formal Charge: 0; (26)Complexity: 53.2.

Production method of this chemical is as below: hexane-2,5-dione could react to produce 2,5-Dimethylthiophene, with the following condition: reagent: phosphorus pentasulfide; solvent: CCl4; reaction time: 4 hour; yield: 76%; other condition: heating.

Use of 2,5-Dimethylthiophene: 2,5-Dimethylthiophene could react with acetic acid anhydride to produce 1-(2,5-dimethyl-thiophen-3-yl)-ethanone, with the following condition: reagent: boron fluoride ether adduct.

When you are using this chemical, please be very cautious, and then take some measures to protect yourself. For one thing, being irritant to respiratory system, it may cause inflammation to the skin or other mucous membranes and could cause damage to health. For another thing, it is highly flammable. This chemical may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should take the following instructions. Wear suitable protective clothing and avoid contacting with skin and eyes. And then take precautionary measures against static discharges and remember not to breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). Lastly, while storing, keep container tightly closed in a cool, well-ventilated place, away from sources of ignition - No smoking. And do not empty into drains.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:s1c(ccc1C)C
(2)InChI:InChI=1/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3