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4-Chloro-3,5-dinitrobenzonitrile 97%

CAT: 0286-C11720-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-C11720-01Size:5 g
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CAS Number
1930-72-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007067
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-Chloro-3,5-dinitrobenzonitrile
CAS Number1930-72-9
PubChem CID16008
IUPAC Name4-chloro-3,5-dinitrobenzonitrile
Molecular FormulaC7H2ClN3O4
Molecular Weight227.56
XLogP2.7
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity303
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C#N
InChI
InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H
InChIKey
SCGDEDHSPCXGEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-3,5-dinitrobenzonitrile
CAS: 1930-72-9
CID: 16008
Formula: C7H2ClN3O4
MW: 227.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.56
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass226.9733832
Monoisotopic Mass226.9733832
Topological Polar Surface Area115 Ų
Heavy Atom Count15
Formal Charge0
Complexity303
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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