| Identification | More | [Name]
3,4-Diaminobenzoic acid | [CAS]
619-05-6 | [Synonyms]
3,4-DIAMINOBENZOIC ACID
4-Carboxy-o-phenylenediamine
RARECHEM AL BO 0903
TIMTEC-BB SBB000111
3,4-DIAMINOBENZOIC ACID GRAY TO BROWNPOW DER
3,4-diaminebenzoic acid
3,4-Diaminobenzoesure
3,4-DIAMINOBENZOIC ACID 98%
3,4-Diaminobenzoic acid, 97%, | [EINECS(EC#)]
210-577-2 | [Molecular Formula]
C7H8N2O2 | [MDL Number]
MFCD00007726 | [Molecular Weight]
152.15 | [MOL File]
619-05-6.mol |
| Chemical Properties | Back Directory | [Appearance]
brown powder | [Melting point ]
208-210 °C (dec.) (lit.) | [Boiling point ]
274.61°C (rough estimate) | [density ]
1.2804 (rough estimate) | [refractive index ]
1.5200 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Powder | [pka]
5.02±0.10(Predicted) | [color ]
Brown | [Water Solubility ]
Soluble in water (2.2 mg/ml at 20°C), DMF, and methanol (10 mg/ml). | [BRN ]
775892 | [InChI]
InChI=1S/C7H8N2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,8-9H2,(H,10,11) | [InChIKey]
HEMGYNNCNNODNX-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(N)C(N)=C1 | [LogP]
0.130 | [CAS DataBase Reference]
619-05-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
1
| [Hazard Note ]
Irritant | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
brown powder | [Physical properties]
The 3,4-diaminobenzoic acid (3,4DAB) crystallizes in the monoclinic C2/c space group with a = 22.564(5), b = 3.940(1), c = 15.176(3) Å and β = 103.99(3)°. As can be seen in Fig.1 the acid appears in the solid state in the zwitterion form like natural existing amino acids. The proton of carboxylate group is moved to the amino group in the meta position of benzene ring.
| [Uses]
3,4-Diaminobenzoic acid undergoes cyclocondensations to form, for example, quinoxalines1 and benzimidazoles. It acts as a redox label for electrochemical detection of single base mismatches. | [reaction suitability]
reaction type: solution phase peptide synthesis | [Purification Methods]
Crystallise it from H2O or toluene. [Beilstein 15 IV 1503.] |
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