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2-Benzoylthiophene Tech

CAT: 0286-B05660Size: 50 gDry Ice: NoHazardous: No
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CAT#:0286-B05660Size:50 g
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CAS Number
135-00-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00022495
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
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+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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

2-Benzoylthiophene
CAS Number135-00-2
PubChem CID67262
IUPAC Namephenyl(thiophen-2-yl)methanone
Molecular FormulaC11H8OS
Molecular Weight188.25
XLogP2.9
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity185
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CS2
InChI
InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
InChIKey
DWYFUJJWTRPARQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzoylthiophene
CAS: 135-00-2
CID: 67262
Formula: C11H8OS
MW: 188.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.25
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass188.02958605
Monoisotopic Mass188.02958605
Topological Polar Surface Area45.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity185
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

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