ChemicalBook--->CAS DataBase List--->785-30-8

785-30-8

785-30-8 Structure

785-30-8 Structure
IdentificationMore
[Name]

4,4'-Diaminobenzanilide
[CAS]

785-30-8
[Synonyms]

4,4 DIAMINO BENZANILIDE
4,4'-DIAMINOBENZANILIDE
4,4'-DIAMINOBENZOYLANILIDE
4,4-DIAMINOBENZOYLANILIDE
4-AMINO-N-(4-AMINOPHENYL)BENZAMIDE
DABA
DIAMINOBENZANILIDE(4,4'-)
O,O-DIETHYLTHIOPHOSPHORYL (Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(1-T-BUTOXYCARBONYL-1-METHYL)ETHOXYIMINOACETATE
4,4’-diaminobenzanllide
4-amino-n-(4-aminophenyl)-benzamid
Benzamide,4-amino-N-(4-aminophenyl)-
4,4'-Diaminobenzoylanilide>99.0%
4,4'-Daba
4,4'-Diaminobenzanilide,94%
4,4’-Diaminobenzanilide(4,4’-DABA)
4,4''-DIAMINOBENZANILIDE 98%
p,p'-Diaminobenzanilide
[EINECS(EC#)]

212-321-5
[Molecular Formula]

C13H13N3O
[MDL Number]

MFCD00025361
[Molecular Weight]

227.26
[MOL File]

785-30-8.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to grey-beige powder
[Melting point ]

205-207 °C(lit.)
[Boiling point ]

384.0±27.0 °C(Predicted)
[density ]

1.314±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[Water Solubility ]

Practically insoluble in water
[form ]

powder to crystal
[pka]

13.99±0.70(Predicted)
[color ]

White to Brown
[BRN ]

2215469
[InChI]

InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17)
[InChIKey]

XPAQFJJCWGSXGJ-UHFFFAOYSA-N
[SMILES]

C(NC1=CC=C(N)C=C1)(=O)C1=CC=C(N)C=C1
[CAS DataBase Reference]

785-30-8(CAS DataBase Reference)
[EPA Substance Registry System]

Benzamide, 4-amino-N-(4-aminophenyl)- (785-30-8)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H302+H312+H332-H301
[Precautionary statements ]

P280a-P301+P310a-P405-P501a-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29214200
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4,4'-dinitrobenzanilide-->Benzoyl chloride, 4-amino- (9CI)-->p-Phenylenediamine-->4-Nitrobenzoyl chloride-->N,N-Dimethylformamide-->4-Nitrobenzoic acid-->4-Aminobenzoic acid-->Palladium-->Hydrogen-->4-Nitroaniline
[Preparation Products]

NAPROANILIDE-->Hydrochlorothiazide-->disodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate-->Direct Black 166-->4-[[4-[[[4-[(3-Carboxy-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid disodium salt-->C.I. Direct Red 63-->DIRECT BLACK 170-->5-[[4-[[4-[[4-[[8-Acetylamino-1-hydroxy-3,6-bis(sodiosulfo)-2-naphthalenyl]azo]-3-ethoxy-7-sodiosulfo-1-naphthalenyl]azo]phenyl]aminocarbonyl]phenyl]azo]-2-hydroxybenzoic acid sodium salt-->Direct Brown 227-->Direct Brown 223
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4,4'-Diaminobenzanilide(785-30-8).msds
Hazard InformationBack Directory
[Chemical Properties]

off-white to grey-beige powder
[Uses]

4,4'-Diaminobenzanilide (DABA) is an organic compound that is used as an intermediate in the synthesis of various dyes, pigments, and other organic compounds used in the textile and printing industries. It is also used as a intermediate in the synthesis of certain types of pharmaceuticals and agrochemicals.
[Synthesis]

4,4'-dinitrobenzanilide

6333-15-9

4,4'-Diaminobenzanilide

785-30-8

1. 30 g of 4,4'-dinitrobenzanilide obtained in step 1, 150 mL of N,N'-dimethylformamide and 0.8 g of 3 wt% palladium-carbon catalyst were added to an autoclave. The hydrogenation reaction was carried out at a hydrogen pressure of 0.8±0.1 MPa and a temperature of 100±1 °C until the reaction was complete. Upon completion of the reaction, the reaction mixture was filtered and the solvent was evaporated under vacuum to obtain the crude 4,4'-diaminobenzanilide. 2. The crude 4,4'-diaminobenzanilide obtained in step 2 was added to an autoclave with 100 g of n-butanol and 0.96 g of activated carbon, and nitrogen was passed through for three times to ensure that a positive pressure was maintained in the autoclave. Subsequently, the temperature was raised to 135±1 °C and stirred for 20 min. The filtrate was filtered under nitrogen protection, the filtrate was cooled to 25±1 °C, filtered again and dried. Finally, 22.8 g of electronic grade 4,4'-diaminobenzanilide in the form of white crystalline powder was obtained in 96.1% yield and 99.7% purity (HPLC).

[References]

[1] Patent: CN108329224, 2018, A. Location in patent: Paragraph 0013; 0015-0017; 0026; 0028-0030
[2] Journal of the Serbian Chemical Society, 2011, vol. 76, # 2, p. 177 - 188
[3] ChemMedChem, 2014, vol. 9, # 3, p. 590 - 601
[4] Journal fuer Praktische Chemie (Leipzig), 1958, vol. <4> 6, p. 14,16
[5] Bl. Fac. Eng. Hiroshima Univ., 1956, vol. 5, p. 311,312
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-Diaminobenzanilide(785-30-8)MS
4,4'-Diaminobenzanilide(785-30-8)1HNMR
4,4'-Diaminobenzanilide(785-30-8)IR1
4,4'-Diaminobenzanilide(785-30-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4'-Diaminobenzanilide, 98%(785-30-8)
[Alfa Aesar]

4,4'-Diaminobenzanilide, 98%(785-30-8)
[Sigma Aldrich]

785-30-8(sigmaaldrich)
[TCI AMERICA]

4,4'-Diaminobenzanilide,>98.0%(T)(785-30-8)
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