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4-Chloronitrobenzene

CAT: 0572-TRC-C373910-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C373910-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
100-00-5
Synonyms
Benzene, 1-chloro-4-nitro-; 1-Chloro-4-nitrobenzene; 1-Nitro-4-chlorobenzene; 4-Chloro-1-nitrobenzene; 4-Chloronitrobenzene; 4-Nitro-1-chlorobenzene; 4-Nitrochlorobenzene; 4-Nitrophenyl chloride; NSC 9792; PNCB; p-Chloronitrobenzene; p-Nitrochlorobenzene; p-Nitrophenyl chloride
Hazard Statement
Toxic if swallowed; UN number: UN1578; Packing Group: II
Smiles
[O-][N+](=O)c1ccc(Cl)cc1
Molecular Formula
C6 H4 Cl N O2
Molecular Weight
157.55
InChI
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
Additionnal Information
IUPAC name: 1-chloro-4-nitrobenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Chloro-4-nitrobenzene

1-Chloro-4-nitrobenzene can cause cancer according to an independent committee of scientific and health experts.

CAS Number100-00-5
PubChem CID7474
IUPAC Name1-chloro-4-nitrobenzene
Molecular FormulaC6H4ClNO2
Molecular Weight157.55
XLogP2.4
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC(=CC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
CZGCEKJOLUNIFY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Chloro-4-nitrobenzene
CAS: 100-00-5
CID: 7474
Formula: C6H4ClNO2
MW: 157.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.55
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass156.9930561
Monoisotopic Mass156.9930561
Topological Polar Surface Area45.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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