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4-Bromo-2-Chloroacetanilide 98%

CAT: 0286-B19600-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-B19600-01Size:25 g
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CAS Number
3460-23-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00040852
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious 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

4'-Bromo-2'-chloroacetanilide
CAS Number3460-23-9
PubChem CID610167
IUPAC NameN-(4-bromo-2-chlorophenyl)acetamide
Molecular FormulaC8H7BrClNO
Molecular Weight248.50
XLogP2.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity176
SMILES
CC(=O)NC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
MITWNEIUIPGZKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Bromo-2'-chloroacetanilide
CAS: 3460-23-9
CID: 610167
Formula: C8H7BrClNO
MW: 248.50
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight248.50
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass246.93995
Monoisotopic Mass246.93995
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity176
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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