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4-Aminobenzaldehyde
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Name

4-Aminobenzaldehyde

 EINECS 209-115-2
CAS No. 556-18-3 Density 1.172 g/cm3
PSA 43.09000 LogP 1.66250
Solubility insoluble in water Melting Point 77-79 °C
Formula C7H7NO Boiling Point 278.101 °C at 760 mmHg
Molecular Weight 121.139 Flash Point 121.991 °C
Transport Information UN 1307 Appearance Yellow crystalline powder
Safety 26-36/37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 556-18-3 (4-Aminobenzaldehyde) Hazard Symbols IrritantXi
Synonyms

p-Aminobenzaldehyde;Benzaldehyde, 4-amino-;Benzaldehyde, p-amino-;4-Formylaniline;Benzaldehyde, p-amino- (8CI);p-Formylaniline;

Article Data 232

4-Aminobenzaldehyde Synthetic route

555-16-8

4-nitrobenzaldehdye

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With hydrazine hydrate In ethanol; water at 80℃; for 1h; chemoselective reaction;100%
With NiRh3; hydrogen In ethyl acetate at 20℃; for 12h; Mechanism; Reagent/catalyst; Solvent; chemoselective reaction;99%
With hydrogen In ethanol; water at 25℃; under 11251.1 Torr; for 6h; chemoselective reaction;99%
623-04-1

4-aminobenzenemethanol

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With silica-supported Jones reagent In dichloromethane for 0.00269444h;100%
With aluminum oxide In N,N-dimethyl-formamide at 120℃; for 10h; Inert atmosphere;96%
With sulfuric acid; dihydrogen peroxide; sodium bromide In 1,4-dioxane; water at 70℃; Flow reactor; Green chemistry;90%
619-73-8

4-nitrobenzyl chloride

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
Stage #1: 4-nitrobenzyl chloride With potassium sulfate; lead dioxide at 37℃; for 1.5h;
Stage #2: With nickel dichloride In cyclohexane at 9 - 56℃; for 5.66667h; Temperature;		98.8%
With sodium sulfide
With sodium disulfide
140661-40-1, 52550-86-4

4,4'-diformylazobenzene

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With aminomethyl polysterene resin formic acid salt; zinc In methanol at 20℃; for 0.333333h;95%
With aminomethylpolystyrene-supported formate; palladium on activated charcoal In methanol at 20℃; for 3.5h;93%
With polystyrene-CH2-NH3(+)HCO2(-); magnesium In methanol at 20℃; for 0.25h;92%
With zinc In methanol at 25℃; for 0.2h; Inert atmosphere;90%
With magnesium In methanol at 25℃; for 0.233333h; Inert atmosphere;90%
24173-36-2

4-azidobenzaldehyde

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With formic acid; tris(2,2'-bipyridyl)ruthenium dichloride; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; Irradiation; chemoselective reaction;92%
150-13-0

4-amino-benzoic acid

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;90%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 6h; Ambient temperature;79%
With 9-borabicyclo[3.3.1]nonane dimer; tert.-butyl lithium 1.) THF, room temp.; 2.) THF, pentane, -20 deg C, 10 min and room temp., 6 h; Yield given. Multistep reaction;
106-49-0

p-toluidine

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With tert.-butylhydroperoxide In water at 60℃; for 2.5h; Green chemistry;90%
With sodium hydroxide In 4-amino-N-hydroxyphthalimide62%
With hydrogenchloride; 2,3-dicyano-5,6-dichloro-p-benzoquinone In water at 20℃; for 2h; regiospecific reaction;62%
1129-37-9

4-nitrobenzaldehyde oxime

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With hydrogenchloride; iron In methanol; water for 0.5h; Heating;90%
1122-91-4

4-bromo-benzaldehyde

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With ammonium hydroxide; (2-methylacetatobenzyl)triphenylphosphonium hexabromodipalladate(II) at 60℃; for 5h;90%
With ammonium hydroxide; trans-bis(triphenylphosphine)palladium dichloride; sodium carbonate In neat (no solvent) at 80℃; for 6h;90%
With ammonium hydroxide; bis[(2-methylacetatobenzyl)tri(p-tolyl)phosphonium] hexabromodipalladate(II) In neat (no solvent) at 60℃; for 5h;88%
87199-17-5

4-formylphenylboronic acid,

556-18-3

4-aminobenzaldehyde

Conditions
ConditionsYield
With copper(I) oxide; ammonium hydroxide; air In methanol at 20℃; for 18h;83%

4-Aminobenzaldehyde Consensus Reports

Reported in EPA TSCA Inventory.

4-Aminobenzaldehyde Specification

The IUPAC name of 4-Aminobenzaldehyde is 4-aminobenzaldehyde. With the CAS registry number 556-18-3, it is also named as 4-Formylaniline. The product's categories are Fine Chemical & Intermediates; Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde. Besides, it is yellow crystalline powder, which should be stored in sealed and dark place. In addition, its molecular formula is C7H7NO and molecular weight is 121.14.

The other characteristics of this product can be summarized as: (1)EINECS: 209-115-2; (2)ACD/LogP: 0.64; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.636; (5)ACD/LogD (pH 7.4): 0.636; (6)ACD/BCF (pH 5.5): 1.791; (7)ACD/BCF (pH 7.4): 1.792; (8)ACD/KOC (pH 5.5): 52.819; (9)ACD/KOC (pH 7.4): 52.831; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 37.242 cm3; (15)Molar Volume: 103.38 cm3; (16)Surface Tension: 52.418 dyne/cm; (17)Density: 1.172 g/cm3; (18)Flash Point: 121.991 °C; (19)Melting Point: 77-79 °C; (20)Enthalpy of Vaporization: 51.67 kJ/mol; (21)Boiling Point: 278.101 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.

Preparation of 4-Aminobenzaldehyde: this chemical can be prepared by the oxidation and deoxidation of p-Nitrotoluene. Frist, please add 65% Ethanol and p-Nitrotoluene to the solution of Sodium polysulfide. The reaction will occur at temperature of 80-86 °C for 1.5 hours. Then retrieve Ethanol, and remove p-Amino toluene by steam distillation. Afterwards, please use Benzene to extract the reaction liquid. At last, you will obtain the product after steam distillation, cooling, filtration and drying.

Uses of 4-Aminobenzaldehyde: this chemical can be used as intermediate of pharmaceutical and dye. It is also used in organic synthesis. Additionally, it can react with Carbonyl dichloride to get 4-Formylphenyl isocyanate.



This reaction needs Toluene and Ethyl acηte at room temperature for 0.5 hour. The yield is 72 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ccc1C=O)N
(2)InChI: InChI=1/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2
(3)InChIKey: VATYWCRQDJIRAI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2
(5)Std. InChIKey: VATYWCRQDJIRAI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 912mg/kg (912mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 348, 1947.

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