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4-Bromo-2-thiophenecarboxaldehyde

CAT: 0286-B24935-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-B24935-01Size:5 g
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CAS Number
18791-75-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005431
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
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

4-Bromothiophene-2-carbaldehyde
CAS Number18791-75-8
PubChem CID87792
IUPAC Name4-bromothiophene-2-carbaldehyde
Molecular FormulaC5H3BrOS
Molecular Weight191.05
XLogP2.1
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity96
SMILES
C1=C(SC=C1Br)C=O
InChI
InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H
InChIKey
PDONIKHDXYHTLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromothiophene-2-carbaldehyde
CAS: 18791-75-8
CID: 87792
Formula: C5H3BrOS
MW: 191.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.05
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.90880
Monoisotopic Mass189.90880
Topological Polar Surface Area45.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.4
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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