- 3,10-Diaminotricyclo(5.2.1.0(sup 2,6))decane
- 3,10-Dinitrophenanthrene
- 3-((10-ETHYL-11-(p-HYDROXYPHENYL)DIBENZ-(B,F)OXEPIN-3-YL)OXY)-1,2-PROPANEDIOL HYDRATE (4:1)
- 3-(1,1,2,2-Tetrafluoroethoxy)aniline
- 3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde
- 3-(1,1,2,2-Tetrafluoroethoxy)bromobenzene
- 3-(1,1,2,2-Tetrafluoroethoxy)toluene
- 3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
- 3,11-Dichloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepine 5,5-dioxide
- 3-[(1,1-Dimethyl-2-hydroxyethyl)amino]-2-hydroxypropanesulfonicacid
- 53588-95-7Carbamic acid,N-(2-cyanoethyl)-, 1,1-dimethylethyl ester
- 535-89-74-Pyrimidinamine,2-chloro-N,N,6-trimethyl-
- 5359-04-6Ethanone,1-[4-(1-methylethenyl)phenyl]-
- 53590-48-01H-Indole-2-methanol,5-bromo-
- 53590-59-36-Chloro-1H-indole-2-carbaldehyde
- 53592-10-21,1'-Biphenyl,2,4-dibromo-
- 535924-73-3Azetidine, 3-ethoxy-, hydrochloride (1:1)
- 535924-87-92,5-Dichloro-1H-indole-3-carboxaldehyde
- 535936-86-8Cyclopropaneaceticacid, a-amino-, methyl ester, hydrochloride(1:1)
- 53595-65-62-Thiophenesulfonamide,5-bromo-
Hot Products
- 4418-26-2Sodium dehydroacetate
- 64-72-22-Naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,hydrochloride (1:1), (4S,4aS,5aS,6S,12aS)-
- 110-83-8Cyclohexene
- 6969-71-71,2,4-Triazolo[4,3-a]pyridin-3(2H)-one
- 63675-74-1Benzo[b]thiophene,6-methoxy-2-(4-methoxyphenyl)-
- 138564-58-63-Thiophenecarbonitrile,2-amino-5-methyl-
- 98-97-52-Pyrazinecarboxylic acid
- 100-53-8Benzyl mercaptan
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
3,5-Diaminobenzoic acid |
EINECS | 208-621-0 |
| CAS No. | 535-87-5 | Density | 1.428 g/cm3 |
| PSA | 89.34000 | LogP | 1.71160 |
| Solubility | Very soluble in water. | Melting Point |
235-238 °C (dec.)(lit.) |
| Formula | C7H8N2O2 | Boiling Point | 459.1 °C at 760 mmHg |
| Molecular Weight | 152.153 | Flash Point | 231.5 °C |
| Transport Information | N/A | Appearance | White to grey powder |
| Safety | 26-36-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
BRN 2086484;CCRIS 2885; |
Article Data | 28 |
3,5-Diaminobenzoic acid Synthetic route
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; ammonium formate; silica gel In methanol for 1.5h; Milling; | 99% |
| With sodium hydroxide In water at 25 - 30℃; under 1500.15 Torr; pH=7 - 8; Reagent/catalyst; Pressure; | 98.8% |
| With hydrazine hydrate In neat (no solvent) at 20℃; for 0.5h; chemoselective reaction; | 96% |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In water at 20℃; for 9h; Green chemistry; | 92% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
| Conditions | Yield |
|---|---|
| In water for 8h; UV-irradiation; Title compound not separated from byproducts.; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 92 percent / hydrogen / Pd/C / methanol / 20 °C 2: H2O / 8 h / UV-irradiation View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: HNO3+H2SO4 2: ammonia; hydrogen sulfide View Scheme | |
| Multi-step reaction with 2 steps 1: HNO3+H2SO4 2: hydrogen sulfide; ammonia View Scheme |
3,5-Diaminobenzoic acid Consensus Reports
3,5-Diaminobenzoic acid Specification
The IUPAC name of this product is 3,5-diaminobenzoic acid . With the CAS registry number 535-87-5, it is also named as Benzoic acid, 3,5-diamino- ; 4-14-00-01304 (Beilstein Handbook Reference) ; AI3-52307 ; BRN 2086484 ; CCRIS 2885 . The product's categories are organic acids, aromatic amino acids fluorescent probes, labels, particles and stains, unnatural amino acid derivatives.
The 3,5-Diaminobenzoic acid is white to grey powder which is slightly soluble in water, soluble in alcohol and ether . When heated to decomposition it emits toxic vapors of NOx. This product is used as pharmaceutical intermediates. It is also used as intermediate in organic synthesis and is the raw materials of drug Amidotrizoic acid. 3,5-Diaminobenzoic acid is obtained by benzoic acid with nitration and reduction.
This product is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36:Wear suitable protective clothing. If you want to contact this product, you must wear suitable gloves and eye/face protection.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.29 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): -1.31 ; (4)ACD/LogD (pH 7.4): -2.9 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1.6 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 5 ; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.71 ; (13)Molar Refractivity: 41.65 cm3 ; (14)Molar Volume: 106.5 cm3 ; (15)Polarizability: 16.51×10-24 cm3 ; (16)Surface Tension: 82.5 dyne/cm ; (17)Enthalpy of Vaporization: 75.82 kJ/mol ; (18)Vapour Pressure: 3.17E-09 mmHg at 25°C ; (19)Rotatable Bond Count: 1 ; (20)Exact Mass: 152.058578 ; (21)MonoIsotopic Mass: 152.058578 ; (22)Topological Polar Surface Area: 89.3 ; (23)Heavy Atom Count: 11.
People can use the following data to convert to the molecule structure. SMILES: O=C(O)c1cc(N)cc(N)c1; InChI: InChI=1/C7H8N2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,8-9H2,(H,10,11). 3,5-Diaminobenzoic acid has many suppliers, such as Epochem Co., Ltd., Satachem Co., Ltd., Changzhou Sunchem Chemical Co., Ltd. and Changzhou Sunlight Pharmaceutical Co., Ltd..
What can I do for you?
Get Best Price
