54580
3-Hydroxybenzaldehyde
purum, ≥95.0% (HPLC), faintly yellow to light brown
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About This Item
Linear Formula:
HOC6H4CHO
CAS Number:
Molecular Weight:
122.12
EC Number:
202-892-9
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
507099
MDL number:
InChI key
IAVREABSGIHHMO-UHFFFAOYSA-N
InChI
1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
SMILES string
Oc1cccc(C=O)c1
grade
purum
assay
≥95.0% (HPLC)
form
solid
color
faintly yellow to light brown
bp
191 °C/50 mmHg (lit.)
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signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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T Suthan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 87, 194-198 (2011-12-24)
Novel organic nonlinear optical (NLO) material 3-hydroxybenzaldehyde (3HBA) single crystals have been grown by modified vertical Bridgman technique using the single and double wall ampoules with nano translation. Single crystal X-ray diffraction analysis reveals that 3HBA crystallizes in orthorhombic system
Yan-Chao Wu et al.
Journal of the American Chemical Society, 130(22), 7148-7152 (2008-05-06)
(-)-Quinocarcin (1) has been synthesized in a longest linear sequence of 22 steps from 3-hydroxybenzaldehyde in 16% overall yield. The Pictet-Spengler reaction of L-tert-butyl-2-bromo-5-hydroxy phenylalanate (17), synthesized according to Corey-Lygo's enantioselective alkylation process, with benzoxyacetaldehyde (12) under mild acidic conditions
B A Stamboliyska et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 59(7), 1541-1548 (2003-04-26)
The spectral and structural changes, caused by the conversion of the 3-hydroxybenzaldehyde molecule into the corresponding oxyanion have been studied by IR spectra, and MP2 and DFT force field calculations. The conversion causes a 13 cm(-1) decrease in the frequency
M Parekh et al.
Letters in applied microbiology, 22(2), 115-120 (1996-02-01)
Desulfovibrio desulfuricans ATCC 27774 was screened for reactivity against aromatic compounds during lactate-dependent, nitrate-dissimilating growth. Only aromatic aldehydes (benzaldehyde, 2-hydroxybenzaldehyde, 3-hydroxybenzaldehyde, 4-hydroxybenzaldehyde, vanillin, iso-vanillin and o-vanillin) were reactive and, with the exception of 2-hydroxybenzaldehyde, were stimulatory to lactate-dependent growth. Aromatic
Jayashree Yenagi et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(5), 1025-1033 (2010-10-05)
Ab initio conformers and dimers have been computed at RHF and B3LYP/6-31G* levels for isomers 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde to explain the observed infrared absorption and Raman vibrational spectral features in the region 3500-50 cm(-1). The position of the chlorine in
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