CAS No.110-02-1,Thiophene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	110-02-1
Name:	Thiophene
Article Data:	3

Formula:	C₄H₄S
Molecular Weight:	84.1418
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:	F,Xn
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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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)	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),