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2-Acetylthiophene(CAS No. 88-15-3)

2-Acetylthiophene C6H6OS (cas 88-15-3) Molecular Structure

88-15-3 Structure

Identification and Related Records

【Name】
2-Acetylthiophene
【CAS Registry number】
88-15-3
【Synonyms】
2-Acetyl thiophene
Methyl 2-thienyl ketone
【EINECS(EC#)】
201-804-6
【Molecular Formula】
C6H6OS (Products with the same molecular formula)
【Molecular Weight】
126.17
【Inchi】
InChI=1/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
【InChIKey】
WYJOVVXUZNRJQY-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=CC=CS1
【MOL File】
88-15-3.mol

Chemical and Physical Properties

【Appearance】
yellow to brown liquid
【Density】
1.16
【Melting Point】
10-11℃
【Boiling Point】
214℃
【Refractive Index】
1.564-1.568
【Flash Point】
91℃
【Water】
Slightly soluble SOLVENT
【Solubilities】
Slightly soluble SOLVENT
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29349990
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:126.17624 [g/mol]
Molecular Formula:C6H6OS
XLogP3:1.2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:126.013936
MonoIsotopic Mass:126.013936
Topological Polar Surface Area:45.3
Heavy Atom Count:8
Formal Charge:0
Complexity:101
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R23/24/25
【Safety Statements 】
S28;S36/37/39;S38;S45
【HazardClass】
6.1
【Hazard Note】

Irritant

【PackingGroup 】
II
【Sensitive】
Light Sensitive
【Transport】
50kgs

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-571-88938639
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Business Type:Trading Company
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Telephone:86-311-66600578
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Telephone:86-571-85829152
Diamond member Nanjing Chemlin Chemical Co., Ltd.
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Diamond member Hangzhou J&H Chemical Co., Ltd
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Business Type:Manufacturer
Telephone:86-571-87396430
Hui Chem Company Limited
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Telephone:86-21-60542966
Finetech Industry limited.
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Business Type:Manufacturer
Telephone:86-27-87465837

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