| Identification | More | [Name]
4-Nitroanthranilic acid | [CAS]
619-17-0 | [Synonyms]
2-AMINO-4-NITROBENZOIC ACID
4-Nitro-2-aminobenzoic acid
4-NITROANTHRANILIC ACID
P-NITROANTHRANILIC ACID
2-amino-4-nitro-benzoicaci
4-nitro-anthranilicaci
4-NITROANTHRANILIC ACID, TECH., 90%
4-NitroAnthranillicAcid
2-AMINO-4-NITROBENZOIC ACID/4-NITROANTHRANILIC ACID
2-Carboxy-5-nitroaniline
NCI C-01945 | [EINECS(EC#)]
210-583-5 | [Molecular Formula]
C7H6N2O4 | [MDL Number]
MFCD00007262 | [Molecular Weight]
182.13 | [MOL File]
619-17-0.mol |
| Chemical Properties | Back Directory | [Appearance]
Orange crystalline powder | [Melting point ]
257 °C (dec.)(lit.)
| [Boiling point ]
315.51°C (rough estimate) | [density ]
1.5181 (rough estimate) | [refractive index ]
1.5880 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
3.92±0.13(Predicted) | [color ]
Orange | [Water Solubility ]
<0.01 g/100 mL at 22 ºC | [Major Application]
peptide synthesis | [InChI]
InChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11) | [InChIKey]
UEALKTCRMBVTFN-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C([N+]([O-])=O)C=C1N | [CAS DataBase Reference]
619-17-0(CAS DataBase Reference) | [EPA Substance Registry System]
619-17-0(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P305+P351+P338-P280a-P304+P340-P405-P501a | [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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
CB3675000
| [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29224999 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Hazardous Substances Data]
619-17-0(Hazardous Substances Data) |
| Hazard Information | Back Directory | [General Description]
Orange prisms or orange powder. Sweet taste. | [Reactivity Profile]
4-NITROANTHRANILIC ACID(619-17-0) is incompatible with acids, acid chlorides, acid anhydrides, chloroformates and strong oxidizing agents. | [Air & Water Reactions]
Insoluble in water. | [Fire Hazard]
Flash point data for this chemical are not available; however, 4-NITROANTHRANILIC ACID is probably combustible. | [Chemical Properties]
Orange crystalline powder | [Physical properties]
2-Amino-4-nitrobenzoic acid has three crystal structures[1], respectively: monoclinic-1B, monoclinic-1C, and triclinic-1. Compound monoclinic-1B crystallises in the A ˚ space group P21/c with a = 4.039(4), b = 27.23(2), c = 7.284(7) Å, b = 112.783(15); compound monoclinic-1C crystallises in the space group P21/c with a = 3.71050(10), b = 25.3092(8), c = 24.3555 (17) A ˚ , b = 93.459(7) , and triclinic-1 crystallises in the space group P-1 with a = 3.7522(3), b = 8.5536(6), c = 24.4118(17), a = 88.738(9), b = 86.625(9), c = 87.769(9).
[1] SOLANGE M. S. V. WARDELL; James L W. Three New Polymorphs of 2-Amino-4-nitrobenzoic Acid[J]. Journal of Chemical Crystallography, 2015, 46 1: 34-43. DOI:10.1007/s10870-015-0625-8.
| [Uses]
peptide synthesis | [Definition]
ChEBI: An aminobenzoic acid that is anthranilic acid with a nitro substituent at position 4. | [reaction suitability]
reaction type: solution phase peptide synthesis | [Purification Methods]
Crystallise the acid from water, EtOH (m 271o) or aqueous EtOH (m 269o). The acetyl derivative has m 217o (from EtOH), m 222o (from aqueous EtOH). [Chapman & Stephen J Chem Soc 1796 1925, Beilstein 14 II 234, 14 III 975, 14 IV 1087.] |
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