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99-06-9 molecular structure
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3-hydroxybenzoic acid

ChemBase ID: 89764
Molecular Formular: C7H6O3
Molecular Mass: 138.12074
Monoisotopic Mass: 138.03169405
SMILES and InChIs

SMILES:
O=C(c1cc(ccc1)O)O
Canonical SMILES:
Oc1cccc(c1)C(=O)O
InChI:
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKey:
IJFXRHURBJZNAO-UHFFFAOYSA-N

Cite this record

CBID:89764 http://www.chembase.cn/molecule-89764.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxybenzoic acid
IUPAC Traditional name
3-hydroxybenzoic acid
Synonyms
3-hydroxybenzoic acid
m-Hydroxybenzoic acid
meta-Hydroxybenzoic acid
m-Salicylic acid
3-Carboxyphenol
3-Hydroxybenzoic acid 99%
3-Hydroxybenzoic acid
m-HYDROXYBENZOIC ACID
3-Hydroxybenzoic acid
3-羟基苯甲酸
间羟基苯甲酸
CAS Number
99-06-9
EC Number
202-726-5
MDL Number
MFCD00002506
Beilstein Number
508160
PubChem SID
24878879
24878874
162076620
24895493
PubChem CID
7420
CHEBI ID
30764
CHEMBL
65369
Chemspider ID
7142
Wikipedia Title
3-Hydroxybenzoic_acid

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8445969  H Acceptors
H Donor LogD (pH = 5.5) -0.33190808 
LogD (pH = 7.4) -1.917054  Log P 1.3272634 
Molar Refractivity 35.2951 cm3 Polarizability 13.296718 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
200-203 °C expand Show data source
200-203 °C(lit.) expand Show data source
200-203°C expand Show data source
201-203°C expand Show data source
201-205 °C expand Show data source
Flash Point
220°C expand Show data source
220°C(428°F) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
RTECS
DH1924980 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (T) expand Show data source
≥99.0% (T) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
ReagentPlus® expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.07% expand Show data source
Linear Formula
HOC6H4CO2H expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05207632 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02157417 external link
(3-Hydroxybenzoic acid)
Sigma Aldrich - H20008 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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