| Identification | More | [Name]
5-Nitroanthranilonitrile | [CAS]
17420-30-3 | [Synonyms]
2-AMINO-5-NITROBENZONITRILE
2-CYANO-4-NITROANILINE
5-NITROANTHRANILONITRILE
2-amino-5-nitro-benzonitril
2-Cyan-4-nitroaniline
2-cyano-4-nitro-anilin
2-kyan-4-nitroanilin
5-nitro-anthranilonitril
2-CYNO-4 NITRO ANILINE
5-Nitroanthanilo nitrile
2-cyano-para-nitroaniline
2-AMINO-5-NITROBENZONITRILE 95+%
4-Nitro-2-cyananiline
2-Cyano-4-nitroaniline, 5-Nitroanthranilonitrile
Anthranilonitrile, 5-nitro-
Benzonitrile, 2-amino-5-nitro-
5-Nitro-2-aminobenzonitrile | [EINECS(EC#)]
241-446-8 | [Molecular Formula]
C7H5N3O2 | [MDL Number]
MFCD00007362 | [Molecular Weight]
163.13 | [MOL File]
17420-30-3.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to brownish powder | [Melting point ]
200-207 °C(lit.)
| [Boiling point ]
290.19°C (rough estimate) | [density ]
1.4141 (rough estimate) | [refractive index ]
1.5500 (estimate) | [Fp ]
234 °C | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
DMSO (Slightly) | [form ]
Solid | [pka]
-1.97±0.10(Predicted) | [color ]
Dark Yellow | [BRN ]
1425714 | [InChI]
InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2 | [InChIKey]
MGCGMYPNXAFGFA-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC([N+]([O-])=O)=CC=C1N | [CAS DataBase Reference]
17420-30-3(CAS DataBase Reference) | [EPA Substance Registry System]
Benzonitrile, 2-amino-5-nitro- (17420-30-3) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P280a-P304+P340-P305+P351+P338-P405-P501a | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
2
| [RTECS ]
BX2500000
| [TSCA ]
Yes | [REACH Registrations]
Inactive | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Toxicity]
mouse,LD50,oral,6710mg/kg (6710mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986. |
| Hazard Information | Back Directory | [Chemical Properties]
yellow to brownish powder | [Uses]
5-Nitroanthranilonitrile is mainly used in the synthesis of disperse dyes and is an important intermediate for disperse dyes. It is used to synthesize various high-temperature or medium-temperature disperse dyes such as Disperse Ruby SE-GFL, Disperse Scarlet S-FL, Disperse Blue SE-2R, and Disperse Violet SR. | [Production Methods]
A newer synthetic route
starts from 6-nitroisatoic anhydride [2H-3,1-benzoxazine-6-nitro-2,4 (1H)-dione]: the latter is
converted into 2-amino-5-nitrobenzonitrile by
reaction with ammonia, subsequent treatment
with phosgene in dimethylformamide or Nmethylpyrrolidone, followed by hydrolysis of
the formamidine.
 | [Synthesis Reference(s)]
Journal of the American Chemical Society, 82, p. 3152, 1960 DOI: 10.1021/ja01497a043 | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 11, p. 2589 - 2593 |
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