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CAS No.: | 603-81-6 |
---|---|
Name: | 2,3-Diaminobenzoic acid |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C7H8N2O2 |
Molecular Weight: | 152.153 |
Synonyms: | 3-Carboxy-1,2-diaminobenzene;3-Carboxy-o-phenylenediamine; |
Density: | 1.428 g/cm3 |
Melting Point: | 198-204 °C |
Boiling Point: | 382.7 °C at 760 mmHg |
Flash Point: | 185.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26 |
PSA: | 89.34000 |
LogP: | 1.71160 |
Conditions | Yield |
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With sodium dithionite In ethanol for 1h; Heating; | 74% |
With palladium 10% on activated carbon; hydrogen In methanol under 760.051 Torr; | 69% |
With hydrogen; 10percent Pd/C In methanol under 760.051 Torr; | 66% |
3-Amino-2-nitrobenzoic acid
2,3-diaminobenzoic acid
Conditions | Yield |
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With hydrogenchloride; tin(ll) chloride | |
With hydrogenchloride; tin |
2-acetylamino-3-nitro-benzoic acid
2,3-diaminobenzoic acid
Conditions | Yield |
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With hydrogenchloride; zinc |
2-carbamoyl-3-nitrobenzoic acid
2,3-diaminobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aq. KOH; Br2 / 80 °C 2: NaOH; hydrazine hydrate; Raney Ni View Scheme | |
Multi-step reaction with 2 steps 1: 93 percent / Br2; aq. KOH / 3 h / 60 °C 2: 66 percent / H2 / 10percent Pd/C / methanol / 760.05 Torr View Scheme | |
Multi-step reaction with 2 steps 1: NaOCl, aq. NaOH 2: H2, aq. NaOH / Pd/C / 4 h / 760 Torr View Scheme | |
Multi-step reaction with 2 steps 1: sodium hypochlorite; water; sodium hydroxide / 0 - 80 °C 2: hydrazine hydrate; sodium hydroxide / methanol / Reflux View Scheme | |
Multi-step reaction with 2 steps 1: bromine; potassium hydroxide / water / 0 - 60 °C 2: hydrogen; palladium 10% on activated carbon / methanol / 760.05 Torr View Scheme |
2-Amino-3-nitrobenzoic acid,ethyl ester
2,3-diaminobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aq. KOH / Heating 2: H2, aq. NaOH / Pd/C View Scheme |
ethyl 2-carboxy-3-nitrobenzoate
2,3-diaminobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: SOCl2 / 1 h / Heating 2: aq. NaN3 / acetone / 1 h / below 25 deg C 3: aq. AcOH / 0.17 h / Heating 4: aq. KOH / Heating 5: H2, aq. NaOH / Pd/C View Scheme |
3-nitro-phthalic acid-1-ethyl ester-2-chloride
2,3-diaminobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: aq. NaN3 / acetone / 1 h / below 25 deg C 2: aq. AcOH / 0.17 h / Heating 3: aq. KOH / Heating 4: H2, aq. NaOH / Pd/C View Scheme |
2-Azidocarbonyl-3-nitro-benzoic acid ethyl ester
2,3-diaminobenzoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: aq. AcOH / 0.17 h / Heating 2: aq. KOH / Heating 3: H2, aq. NaOH / Pd/C View Scheme |
2-nitro-3-(N'-nitro-ureido)-benzoic acid
2,3-diaminobenzoic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: water 2: tin; hydrochloric acid View Scheme |
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The IUPAC name of this chemical is 2,3-Diaminobenzoic acid. With the CAS registry number 603-81-6, it is also named as benzoic acid, 2,3-diamino-. In addition, the molecular formula is C7H8N2O2. It is a kind of irritating chemical and belongs to the classes of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Phenyls & Phenyl-Het; API Intermediates. And it should be stored in a cool and dry place.
Physical properties about 2,3-Diaminobenzoic acid are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.67; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 32.78 Å2; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 41.65 cm3; (13)Molar Volume: 106.5 cm3; (14)Polarizability: 16.51 ×10-24cm3; (15)Surface Tension: 82.5 dyne/cm; (16)Density: 1.428 g/cm3; (17)Flash Point: 185.3 °C; (18)Enthalpy of Vaporization: 66.58 kJ/mol; (19)Boiling Point: 382.7 °C at 760 mmHg; (20)Vapour Pressure: 1.53E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(N)c1N
(2)InChI: InChI=1/C7H8N2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H,10,11)
(3)InChIKey: KKTUQAYCCLMNOA-UHFFFAOYAW