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635-93-8 molecular structure
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5-chloro-2-hydroxybenzaldehyde

ChemBase ID: 70100
Molecular Formular: C7H5ClO2
Molecular Mass: 156.5664
Monoisotopic Mass: 155.99780708
SMILES and InChIs

SMILES:
C(=O)c1c(ccc(c1)Cl)O
Canonical SMILES:
O=Cc1cc(Cl)ccc1O
InChI:
InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey:
FUGKCSRLAQKUHG-UHFFFAOYSA-N

Cite this record

CBID:70100 http://www.chembase.cn/molecule-70100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2-hydroxybenzaldehyde
IUPAC Traditional name
5-chloro-2-hydroxybenzaldehyde
Synonyms
5-Chloro-2-hydroxybenzaldehyde
5-Chlorosalicylaldehyde
5-Chloro-2-hydroxybenzaldehyde
5-CHLOROSALICYLALDEHYDE
5-Chlorosalicylaldehyde
5-氯水杨醛
CAS Number
635-93-8
EC Number
211-244-4
MDL Number
MFCD00003331
Beilstein Number
636632
PubChem SID
24868354
162035825
PubChem CID
12481

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8609376  H Acceptors
H Donor LogD (pH = 5.5) 2.634354 
LogD (pH = 7.4) 2.5083015  Log P 2.6362276 
Molar Refractivity 39.4277 cm3 Polarizability 14.7344475 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
100-102 °C(lit.) expand Show data source
99°C expand Show data source
99-103°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
VN5450000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H400 expand Show data source
GHS Precautionary statements
P261-P273-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H3(OH)CHO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05208669 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 447706 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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