4-Nitrophenol

CAT: 0203-24921-42Size: 25 gDry Ice: NoHazardous: Yes

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CAT#:0203-24921-42Size:25 g

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CAS Number

100-02-7

UN Code

1663

Purity

≧ 99.0% (GC)

Storage Conditions

Room Temperature

Grade

GR (Guaranteed Reagent)

Chemical Information

4-Nitrophenol

4-nitrophenol is a member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. It has a role as a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 4-nitrophenolate.

CAS Number	100-02-7
PubChem CID	980
IUPAC Name	4-nitrophenol
Molecular Formula	C6H5NO3
Molecular Weight	139.11
XLogP	1.9
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	123

SMILES

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

InChI

InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

InChIKey

BTJIUGUIPKRLHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 100-02-7

CID: 980

Formula: C6H5NO3

MW: 139.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	139.11
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	139.026943022
Monoisotopic Mass	139.026943022
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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

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18421-82	4-Methoxyphenol
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27931-22	4-Picoline
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12922-86	4-Dimethylaminopyridine

Alternative Products

Catalog	Name
abx185950-01	4-Nitrophenol
285049-01	4-Nitrophenol palmitate
433251	4-Nitrophenol-13C6
233445-01	4-Nitrophenol 99+%
TRC-N496947-100MG	4-Nitrophenol-15N
TRC-N496946-5MG	4-Nitrophenol-d4
NCA80189-01	2- (4-Methoxyphenyl) -4-nitrophenol

4-Nitrophenol

Chemical Information

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