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2,3,4-Trichloronitrobenzene

CAT: 0572-TRC-T774430-25GSize: 25 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-T774430-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17700-09-3
Synonyms
1,2,3-Trichloro-4-nitrobenzene; 2,3,4-Trichloro-1-nitrobenzene; 2,3,4-Trichloronitrobenzene; NSC 91490
Hazard Statement
Harmful if inhaled; UN number: UN1578; Packing Group: II
Smiles
[O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl
Molecular Formula
C6 H2 Cl3 N O2
Molecular Weight
226.44
InChI
InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
Additionnal Information
IUPAC name: 1,2,3-trichloro-4-nitrobenzene
Shipping Conditions
Room Temperature

Chemical Information

2,3,4-Trichloronitrobenzene

2,3,4-trichloronitrobenzene appears as needles or light yellow fluffy solid. (NTP, 1992)

CAS Number17700-09-3
PubChem CID28697
IUPAC Name1,2,3-trichloro-4-nitrobenzene
Molecular FormulaC6H2Cl3NO2
Molecular Weight226.4
XLogP3.6
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity184
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl
InChI
InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKey
BGKIECJVXXHLDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3,4-Trichloronitrobenzene
CAS: 17700-09-3
CID: 28697
Formula: C6H2Cl3NO2
MW: 226.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.4
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass224.915111
Monoisotopic Mass224.915111
Topological Polar Surface Area45.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity184
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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