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Cas Database

Name	3-Nitrosalicylaldehyde	EINECS	226-098-7
CAS No.	5274-70-4	Density	1.5 g/cm³
PSA	83.12000	LogP	1.63610
Solubility	slightly soluble in water	Melting Point	105-109 °C(lit.)
Formula	C₇H₅NO₄	Boiling Point	227.8 °C at 760 mmHg
Molecular Weight	167.121	Flash Point	99.2 °C
Transport Information	N/A	Appearance	yellow to brown crystalline powder
Safety	26-36-36/37/39	Risk Codes	36/37/38-22-20/21/22
Molecular Structure		Hazard Symbols	Xi,Xn
Synonyms	Salicylaldehyde,3-nitro- (6CI,7CI,8CI);2-Hydroxy-3-nitrobenzaldehyde;3-Nitro-2-hydroxybenzaldehyde;NSC 38026;	Article Data	36

3-Nitrosalicylaldehyde Synthetic route

: 90-02-8
salicylaldehyde

: 5274-70-4
3-nitrosalicylic aldehyde

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine; zinc(II) nitrate hexahydrate In acetonitrile at 20℃; for 1.66667h; regioselective reaction;	90%
With 1,3,5-trichloro-2,4,6-triazine In acetonitrile at 20℃; for 0.833333h; regioselective reaction;	80%
With uronium nitrate In water; acetonitrile at 80℃; for 0.75h; Microwave irradiation; regioselective reaction;	62%
With nitric acid; acetic acid at 0 - 40℃; for 7h;	26%
(nitration);

: 17580-64-2
3-nitro-2-hydroxybenzaldoxime

: 5274-70-4
3-nitrosalicylic aldehyde

Conditions

Conditions	Yield
With zirconium hydrogen sulfate; silica gel In hexane for 4.5h; Heating;	85%

: 89-95-2
2-methyl-benzyl alcohol

: 5274-70-4
3-nitrosalicylic aldehyde

Conditions

Conditions	Yield
at -30℃; for 0.05h; microwave irradiation;	65%

: 90-02-8
salicylaldehyde

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
With nitric acid; acetic acid	A n/a B 47%
With nitric acid; acetic acid at 15℃; Man laesst dann die Temperatur des Gemisches auf 40-45gradC steigen und giesst schnell in Eiswasser. Man kann beiden Aldehyde in Form der Natriumsalze, Bariumsalze, oder durch NaHSO3 trennen.;
With water; nitric acid
With nitric acid; acetic acid at 15℃; Man laesst dann die Temperatur des Gemisches auf 40-45gradC steigen und giesst schnell in Eiswasser. Man kann die beiden Aldehyde in Form der Natriumsalze, Bariumsalze oder durch NaHSO3 trennen.;
With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 20℃; for 0.5h; Inert atmosphere;	A 42 %Chromat. B 58 %Chromat.

: 91768-15-9
2-acetoxy-1-diacetoxymethyl-3-nitro-benzene

: 5274-70-4
3-nitrosalicylic aldehyde

Conditions

Conditions	Yield
With sulfuric acid

: 67-66-3
chloroform

: 88-75-5
2-hydroxynitrobenzene

: 5274-70-4
3-nitrosalicylic aldehyde

Conditions

Conditions	Yield
With sodium hydroxide; ethanol

: 13680-09-6
2-methyl-7-nitrobenzofuran

: 5274-70-4
3-nitrosalicylic aldehyde

Conditions

Conditions	Yield
With dimethylsulfide; ozone 1.) CH2Cl2, -78 deg C, 15 min, 2.) CH2Cl2, RT, 1 h; Yield given. Multistep reaction;

: 56-23-5
tetrachloromethane

: 90-02-8
salicylaldehyde

benzoyl nitrate: benzoyl nitrate

: 5274-70-4
3-nitrosalicylic aldehyde

: 7732-18-5
water

: 7697-37-2
nitric acid

: 90-02-8
salicylaldehyde

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

: 7697-37-2
nitric acid

: 90-02-8
salicylaldehyde

: 64-19-7
acetic acid

A: 5274-70-4
3-nitrosalicylic aldehyde

B: 97-51-8
5-Nitrosalicylaldehyde

Conditions

Conditions	Yield
unter guter Kuehlung;

3-Nitrosalicylaldehyde Chemical Properties

IUPAC Name: 2-Hydroxy-3-nitrobenzaldehyde
Following is the structure of Benzaldehyde,2-hydroxy-3-nitro- (CAS NO.5274-70-4):

Empirical Formula: C₇H₅NO₄
Molecular Weight: 167.1189 g/mol
EINECS: 226-098-7
Index of Refraction: 1.666
Molar Refractivity: 41.43 cm³
Molar Volume: 111.3 cm³
Density: 1.5 g/cm³
Flash Point: 99.2 °C
Melting point :105-110 °C
Surface Tension: 70.5 dyne/cm
Enthalpy of Vaporization: 48.32 kJ/mol
Boiling Point of Benzaldehyde,2-hydroxy-3-nitro- (CAS NO.5274-70-4): 227.8 °C at 760 mmHg
Vapour Pressure of Benzaldehyde,2-hydroxy-3-nitro- (CAS NO.5274-70-4): 0.0506 mmHg at 25 °C
Water solubility of Benzaldehyde,2-hydroxy-3-nitro- (CAS NO.5274-70-4): slightly soluble
Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=O
InChI: InChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H
InChIKey: NUGOTBXFVWXVTE-UHFFFAOYSA-N

3-Nitrosalicylaldehyde Safety Profile

Hazard Symbols: Harmful Xn
Risk Codes: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Description: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

3-Nitrosalicylaldehyde Specification

Benzaldehyde,2-hydroxy-3-nitro-, its cas register number is 5274-70-4. It also can be called 2-Hydroxy-3-nitrobenzaldehyde ; 3-Nitro-2-hydroxybenzaldehyde ; 3-Nitrosalicylaldehyde ; and Salicylaldehyde, 3-nitro- .

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