Products for Research Use Only

3-Acetyl-2,5-dichlorothiophene

CAT: 0286-A08030Size: 500 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0286-A08030Size:500 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
36157-40-1
Synonyms
2,5-Dichloro-3-thienyl methyl ketone
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014522
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-(2,5-Dichloro-3-thienyl)ethan-1-one

1-(2,5-Dichloro-3-thienyl)ethan-1-one is an aromatic ketone.

CAS Number36157-40-1
PubChem CID118920
IUPAC Name1-(2,5-dichlorothiophen-3-yl)ethanone
Molecular FormulaC6H4Cl2OS
Molecular Weight195.07
XLogP3.2
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity151
SMILES
CC(=O)C1=C(SC(=C1)Cl)Cl
InChI
InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
InChIKey
GYFDNIRENHZKGR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,5-Dichloro-3-thienyl)ethan-1-one
CAS: 36157-40-1
CID: 118920
Formula: C6H4Cl2OS
MW: 195.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.07
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass193.9359913
Monoisotopic Mass193.9359913
Topological Polar Surface Area45.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes