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708-06-5 molecular structure
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2-hydroxynaphthalene-1-carbaldehyde

ChemBase ID: 92297
Molecular Formular: C11H8O2
Molecular Mass: 172.18002
Monoisotopic Mass: 172.0524295
SMILES and InChIs

SMILES:
O=Cc1c(ccc2ccccc12)O
Canonical SMILES:
O=Cc1c(O)ccc2c1cccc2
InChI:
InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
InChIKey:
NTCCNERMXRIPTR-UHFFFAOYSA-N

Cite this record

CBID:92297 http://www.chembase.cn/molecule-92297.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydroxynaphthalene-1-carbaldehyde
IUPAC Traditional name
2-hydroxynaphthalene-1-carbaldehyde
Synonyms
2-Hydroxy-1-naphthaldehyde
2-Hydroxynaphthalene-1-carboxaldehyde
1-Formyl-2-hydroxynaphthalene
2-Hydroxy-1-naphthaldehyde
2-羟基-1-萘甲醛
CAS Number
708-06-5
EC Number
211-902-0
MDL Number
MFCD00004005
Beilstein Number
742777
PubChem SID
24895523
162078995
PubChem CID
12819

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.210636  H Acceptors
H Donor LogD (pH = 5.5) 3.020821 
LogD (pH = 7.4) 2.9597025  Log P 3.0216596 
Molar Refractivity 51.0731 cm3 Polarizability 20.368324 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
76.85°C expand Show data source
76-80 °C(lit.) expand Show data source
77-80°C expand Show data source
Boiling Point
191-193°C/27mm expand Show data source
191-193°C/27mm expand Show data source
192 °C/27 mmHg(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Air Sensitive expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
RTECS
QJ0300000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3077 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
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/37/38-50/53 expand Show data source
Safety Statements
26-36-60-61 expand Show data source
26-37 expand Show data source
TSCA Listed
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
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
HOC10H6CHO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02151298 external link
Used in Merrifield-type synthesis to determine free amino acid groups in polymers.
MP Biomedicals - 05201011 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - H45353 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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