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110-02-1

Basic Information
CAS No.: 110-02-1
Name: Thiophene
Molecular Structure:
Molecular Structure of 110-02-1 (Thiophene)
Formula: C4H4S
Molecular Weight: 84.14
Synonyms: CP34;Divinylene sulfide;Furan, thio-;Huile H50;Huile HSO;NSC 405073;Thiacyclopentadiene;Thiaphene;Thiofuran;Thiofurfuran;Thiole;Thiotetrole;Thiophen;
EINECS: 203-729-4
Density: 1.051 g/cm3
Melting Point: -38 °C
Boiling Point: 84.16 °C at 760 mmHg
Flash Point: -9oC
Solubility: Insoluble in water
Appearance: colourless to pale yellow liquid
Hazard Symbols: FlammableF,HarmfulXn
Risk Codes: 45-46-11-20/21/22-41-52/53-36-20/22-37/38-22
Safety: 53-26-39-45-61-36/37/39-16-36
Transport Information: UN 2414 3/PG 2
PSA: 28.24000
LogP: 1.74810
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  • Thiophene

  • Casno:

    110-02-1

    Thiophene

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  • Casno:

    110-02-1

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  • Casno:

    110-02-1

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    110-02-1

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  • Thiophene

  • Casno:

    110-02-1

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

Thiophene(CAS No.110-02-1), it also can be called Divinylene sulfide; Thiacyclopentadiene; Thiofuran. It belongs to the Product Categories of  Thiophenes; Building Blocks; Thiophene; Organoborons; Halogenated; Organohalides; Boronic ester; Carboxy.  Thiophenes are important heterocyclic compounds , and they are widely used as building blocks in many agrochemicals and pharmaceuticals. The benzene ring of a biologically active compound may often be replaced by a Thiophene without loss of activity. This is seen in examples such as the NSAID lornoxicam, the Thiophene analog of piroxicam.

Physical properties about Thiophene are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.85; (5)ACD/BCF (pH 7.4): 17.85; (6)ACD/KOC (pH 5.5): 273.89; (7)ACD/KOC (pH 7.4): 273.89; (8)Index of Refraction: 1.537; (9)Molar Refractivity: 24.637 cm3; (10)Molar Volume: 78.913 cm3; (11)Polarizability: 9.767 10-24cm3; (12)Surface Tension: 33.9150009155273 dyne/cm; (13)Density: 1.066 g/cm3; (14)Flash Point: -1.111 °C; (15)Enthalpy of Vaporization: 31.48 kJ/mol; (16)Boiling Point: 84.16 °C at 760 mmHg; (17)Vapour Pressure: 81.697998046875 mmHg at 25°C;

When you are using this chemical, please be cautious about it as the following:
1. Avoid exposure - obtain special instruction before use;
2. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
3. Wear eye/face protection;
4. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
5. Avoid release to the environment. Refer to special instructions safety data sheet;
6. Wear suitable protective clothing, gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H;
(2)InChIKey=YTPLMLYBLZKORZ-UHFFFAOYSA-N;
(3)Smilesc1ccsc1;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 20mL/kg (20mL/kg)   National Technical Information Service. Vol. OTS0555960,
mouse LC50 inhalation 9500mg/m3/2H (9500mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 420mg/kg (420mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966.
rabbit LD50 subcutaneous 830mg/kg (830mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1089, 1986.
rat LCLo inhalation 2000ppm/6H (2000ppm)   Toxicologist. Vol. 8, Pg. 141, 1988.
rat LD50 oral 1400mg/kg (1400mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2),