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Name	5-Hydroxy-2-nitrobenzaldehyde	EINECS	255-832-9
CAS No.	42454-06-8	Density	1.5 g/cm³
PSA	83.12000	LogP	1.63610
Solubility	N/A	Melting Point	165-169 °C(lit.)
Formula	C₇H₅NO₄	Boiling Point	373 °C at 760 mmHg
Molecular Weight	167.121	Flash Point	173.2 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	2-Nitro-5-hydroxybenzaldehyde;3-Formyl-4-nitrophenol;NSC 93899;	Article Data	30

5-Hydroxy-2-nitrobenzaldehyde Synthetic route

: 59342-81-3
ethyl (3-formyl-4-nitrophenyl) carbonate

: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

Conditions

Conditions	Yield
With sodium hydroxide In water at 20℃; for 2h; Inert atmosphere;	95%
With sodium hydroxide In water at 20℃; for 2h;	80%
With sodium hydroxide

: 454466-61-6
3-formyl-4-nitrophenyl methyl carbonate

: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

Conditions

Conditions	Yield
With sodium hydroxide In water	92%
With sodium hydroxide In water at 20℃; for 1h;	70%

: 100-83-4
meta-hydroxybenzaldehyde

A: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

B: 42123-33-1
3-hydroxy-2-nitrobenzaldehyde

Conditions

Conditions	Yield
With perchloric acid; montmorillonite K10 supported ammonium nitrate at 60℃; for 1.66667h;	A 69% B 8%

: 99306-51-1
bis(3-formylphenyl) oxalate

: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water	66.5%
Stage #1: bis(3-formylphenyl) oxalate With sulfuric acid; nitric acid at -20 - -10℃; for 0.5h; Inert atmosphere; Stage #2: In water at -10 - 5℃; for 0.5h; Inert atmosphere; Stage #3: In methanol; water for 48h; Inert atmosphere;	63%

: 100-83-4
meta-hydroxybenzaldehyde

: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

Conditions

Conditions	Yield
With nitric acid	25%
With nitric acid In benzene	25%
With nitric acid Inert atmosphere; regioselective reaction;	25%

: 70258-76-3
carbonic acid bis-(3-formyl-4-nitro-phenyl ester)

: furan-2,3,5(4H)-trione pyridine (1:1)

: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

: 100-83-4
meta-hydroxybenzaldehyde

A: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

B: 704-13-2
5-formyl-2-nitrophenol

Conditions

Conditions	Yield
With nitric acid
With nitric acid

: 7697-37-2
nitric acid

: 100-83-4
meta-hydroxybenzaldehyde

A: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

B 4-nitro-3-oxy-benzaldehyde: 4-nitro-3-oxy-benzaldehyde

: 7697-37-2
nitric acid

: 100-83-4
meta-hydroxybenzaldehyde

A: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

B 4-nitro-3-oxy-benzaldehyde: 4-nitro-3-oxy-benzaldehyde

C 2-nitro-3-oxy-benzaldehyde: 2-nitro-3-oxy-benzaldehyde

Conditions

Conditions	Yield
at 35 - 60℃;

6-nitro-3-ethoxycarbonyloxy-benzaldehyde: 6-nitro-3-ethoxycarbonyloxy-benzaldehyde

: 42454-06-8
2-nitro-5-hydroxybenzaldehyde

Conditions

Conditions	Yield
With sodium hydroxide

5-Hydroxy-2-nitrobenzaldehyde Chemical Properties

Product Name: 5-Hydroxy-2-nitrobenzaldehyde (CAS NO.42454-06-8)

Molecular Formula: C₇H₅NO₄
Molecular Weight: 167.12g/mol
Mol File: 42454-06-8.mol
EINECS: 255-832-9
Melting Point: 165-169 °C(lit.)
Boiling point: 373 °C at 760 mmHg
Flash Point: 173.2 °C
Density: 1.5 g/cm³
Sensitive: Air Sensitive
Index of Refraction: 1.666
Molar Refractivity: 41.43 cm³
Molar Volume: 111.3 cm³
Surface Tension: 70.5 dyne/cm
Enthalpy of Vaporization: 64.46 kJ/mol
Vapour Pressure: 4.3E-06 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 5-Hydroxy-2-nitrobenzaldehyde (CAS NO.42454-06-8):
IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde
Canonical SMILES: C1=CC(=C(C=C1O)C=O)[N+](=O)[O-]
InChI: InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
InChIKey: XLYPHUGUKGMURE-UHFFFAOYSA-N
Product Categories: Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde; Aldehydes; C7; Carbonyl Compounds

5-Hydroxy-2-nitrobenzaldehyde Safety Profile

Safety Information of 5-Hydroxy-2-nitrobenzaldehyde (CAS NO.42454-06-8):
Hazard Codes: Xi Irritant
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: CU6700000

5-Hydroxy-2-nitrobenzaldehyde Specification

5-Hydroxy-2-nitrobenzaldehyde , its CAS NO. is 42454-06-8, the synonyms are Benzaldehyde, 5-hydroxy-2-nitro- ; 3-Formyl-4-nitrophenol .

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