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P-Nitrophenol 99%

CAT: 0286-N10460-01Size: 250 gDry Ice: NoHazardous: Yes
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CAT#:0286-N10460-01Size:250 g
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CAS Number
100-02-7
Synonyms
4-Hydroxynitrobenzene
UN Code
UN1663
Pictogram
06 - Acute Toxicity; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00007331
Hazard Statement
H301 Toxic 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; H373 Causes damage to organs through prolonged or repeated exposure; H401 Toxic to aquatic life.
DOT Name
Nitrophenols
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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; P314 Get medical advice/attention if you feel unwell; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

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is a member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group.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 Number100-02-7
PubChem CID980
IUPAC Name4-nitrophenol
Molecular FormulaC6H5NO3
Molecular Weight139.11
XLogP1.9
Topological Polar Surface Area66.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity123
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
2D structure of 4-Nitrophenol
CAS: 100-02-7
CID: 980
Formula: C6H5NO3
MW: 139.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.11
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass139.026943022
Monoisotopic Mass139.026943022
Topological Polar Surface Area66.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity123
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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