2-Chloronitrobenzene

CAT: 0127-OR5399-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0127-OR5399-01Size:10 g

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CAS Number

88-73-3

Synonyms

1-Chloro-2-nitrobenzene

MDL Number

MFCD00007061

Purity

99%

Smiles

[O-][N+](=O)c1ccccc1Cl

Notes

Delivery of 5kg quantity of this item to mainland UK is £35, additional charge will be added at order confirmation stage by our sales team.

Chemical Information

1-Chloro-2-nitrobenzene

2-Chloronitrobenzene can cause cancer according to California Labor Code.

CAS Number	88-73-3
PubChem CID	6945
IUPAC Name	1-chloro-2-nitrobenzene
Molecular Formula	C6H4ClNO2
Molecular Weight	157.55
XLogP	2.2
Topological Polar Surface Area	45.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	134

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

InChIKey

BFCFYVKQTRLZHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 88-73-3

CID: 6945

Formula: C6H4ClNO2

MW: 157.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.55
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	156.9930561
Monoisotopic Mass	156.9930561
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR27686-01	2-Bromo-5-chloronitrobenzene
OR72947-01	2-Bromo-3-chloronitrobenzene
OR5413-01	4-Chloronitrobenzene
PC2248-01	2,5-Bis (trifluoromethyl) -4-chloronitrobenzene
OR315204-01	3-Bromo-5-chloronitrobenzene
OR4221-01	3-Bromo-4-chloronitrobenzene
OR2929-01	4-Bromo-3-chloronitrobenzene
PC2251	3,5-Bis (trifluoromethyl) -4-chloronitrobenzene
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone

Catalog	Name
435337-01	5-Bromo-2-chloronitrobenzene
TRC-C373910-50G	4-Chloronitrobenzene
FB64603	2-Bromo-5-chloronitrobenzene
UAA12848-01	2-Bromo-3-chloronitrobenzene
63860-31-1-01	2-Bromo-4-chloronitrobenzene
C15710-01	M-Chloronitrobenzene 97%
TRC-C373912-100MG	4-Chloronitrobenzene-d4
TRC-C373917-10MG	4-Chloronitrobenzene-13C6
sc-261176	3,5-Bis (trifluoromethyl) -2-chloronitrobenzene
sc-256469	3-Bromo-4-chloronitrobenzene