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123-30-8 molecular structure
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4-aminophenol

ChemBase ID: 92304
Molecular Formular: C6H7NO
Molecular Mass: 109.12588
Monoisotopic Mass: 109.05276385
SMILES and InChIs

SMILES:
Oc1ccc(cc1)N
Canonical SMILES:
Nc1ccc(cc1)O
InChI:
InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
InChIKey:
PLIKAWJENQZMHA-UHFFFAOYSA-N

Cite this record

CBID:92304 http://www.chembase.cn/molecule-92304.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-aminophenol
IUPAC Traditional name
aminophenol
Synonyms
p-Aminophenol
1-Amino-4-hydroxybenzene
4-Amino-1-hydroxybenzene
4-Hydroxy-1-aminobenzene
4-Hydroxybenzenamine
4-Hydroxyphenylamine
Activol
Azol
Benzofur P
Certinal
Citol
Fouramine P
Fourrine 84
NSC 1545
Paranol
Rodinal
Unal
Ursol P
p-Hydroxyaniline
p-Hydroxyphenylamine
p-AMINOPHENOL
4-Aminophenol
4-Hydroxyaniline
4-Aminophenol
对羟基苯胺
4-氨基苯酚
CAS Number
123-30-8
EC Number
204-616-2
MDL Number
MFCD00007869
Beilstein Number
385836
Merck Index
14462
PubChem SID
162079002
24861974
24891177
24881780
PubChem CID
403
CHEBI ID
17602
CHEMBL
1142
Chemspider ID
392
KEGG ID
C02372
MeSH Name
Aminophenols
Unique Ingredient Identifier
R7P8FRP05V
Wikipedia Title
4-Aminophenol

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.399948  H Acceptors
H Donor LogD (pH = 5.5) 0.57626426 
LogD (pH = 7.4) 0.8355824  Log P 0.84075457 
Molar Refractivity 32.7393 cm3 Polarizability 12.069466 Å3
Polar Surface Area 46.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
1.5 g/100 ml (25 °C) in water expand Show data source
DMSO expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
163-165°C (dec.) expand Show data source
185-189 °C expand Show data source
185-189 °C(lit.) expand Show data source
186-188 °C expand Show data source
186-189 °C expand Show data source
186-189°C expand Show data source
186-190°C expand Show data source
188–190 °C expand Show data source
Boiling Point
284 °C expand Show data source
284°C expand Show data source
284°C dec. expand Show data source
Flash Point
195 °C expand Show data source
195°C(383°F) expand Show data source
383 °F expand Show data source
Density
1.13 g/cm3 expand Show data source
1.29 expand Show data source
Storage Condition
Hygroscopic, Refrigerator, Under Inert Atmosphere expand Show data source
RTECS
SJ5075000 expand Show data source
European Hazard Symbols
Carc2 expand Show data source
Muta2 expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Repr3 expand Show data source
Toxic Toxic (T) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2512 expand Show data source
UN2512 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
20/22-50/53-68 expand Show data source
20/22-68-50/53 expand Show data source
R:20/22-40-50/53 expand Show data source
R20/21, R22, R40
R52, Rlink#R54, R68
expand Show data source
Safety Statements
28.2-36/37-60-61 expand Show data source
28-36/37-60-61 expand Show data source
S:28-60-61-36/37 expand Show data source
S28, S36, S37
S60, S61
expand Show data source
TSCA Listed
expand Show data source
EU Index
616-003-00-0 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
1
2
0
expand Show data source
GHS Hazard statements
H302 + H332-H341-H410 expand Show data source
H302-H332-H341-H410 expand Show data source
H341-H400-H410-H302-H332 expand Show data source
GHS Precautionary statements
P273-P281-P501 expand Show data source
P280H-P273-P302+P352-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
RID/ADR
UN 2512 6.1/PG 3 expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
≥98% expand Show data source
≥98.0% (HPLC) expand Show data source
≥99% (HPLC) expand Show data source
95% expand Show data source
98% expand Show data source
Grade
certified reference material expand Show data source
PESTANAL®, analytical standard expand Show data source
purum expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
pkg of 1 g expand Show data source
Ignition Residue
≤1% expand Show data source
Pharmacopeia Traceability
traceable to USP 1021204 expand Show data source
Linear Formula
H2NC6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05204138 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 245992 external link
Packaging
250 g in glass bottle
Sigma Aldrich - A71328 external link
Packaging
1 kg in glass bottle
5, 100, 500 g in glass bottle
Sigma Aldrich - PHR1148 external link
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.
Sigma Aldrich - 35837 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 35837.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Toronto Research Chemicals - A618920 external link
Nephrotoxic metabolite of Acetaminophen (A161220) and Phenacetin (P294580).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Watanabe, et al.: Drug Metab. Dispos., 38, 1532 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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