| Identification | More | [Name]
2-Amino-4-chlorobenzonitrile | [CAS]
38487-86-4 | [Synonyms]
2-AMINO-4-CHLOROBENZONITRILE
4-CHLORO-2-AMINOBENZONITRILE
4-CHLOROANTHRANILONITRILE
5-CHLORO-2-CYANOANILINE
2-amino-4-chloro-benzonitril
2-AMINO-4-CHLOROBENZONITRILE(5-CHLORO-2-CYANOANILINE )
2-AMINO-4-CHLOROBENZONITRILE PURUM 97%
4-Chloroanthranilonitrile, 5-Chloro-2-cyanoaniline | [EINECS(EC#)]
253-967-8 | [Molecular Formula]
C7H5ClN2 | [MDL Number]
MFCD00035927 | [Molecular Weight]
152.58 | [MOL File]
38487-86-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
157-162 °C(lit.) | [Boiling point ]
305.8±27.0 °C(Predicted) | [density ]
1.33±0.1 g/cm3(Predicted) | [storage temp. ]
RT, protect from light | [form ]
powder to crystal | [pka]
0.76±0.10(Predicted) | [color ]
Light orange to Yellow to Green | [BRN ]
2085559 | [InChI]
1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2 | [InChIKey]
UZHALXIAWJOLLR-UHFFFAOYSA-N | [SMILES]
Nc1cc(Cl)ccc1C#N | [CAS DataBase Reference]
38487-86-4(CAS DataBase Reference) | [EPA Substance Registry System]
38487-86-4(EPA Substance) |
| 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 . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2926907090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
2-Amino-4-chlorobenzonitrile may be used in the preparation of the following:
- 6-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
- 7-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
- 4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline
- 6-chlorotacrine
- N-(2-chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide
| [General Description]
2-Amino-4-chlorobenzonitrile (2A4CBN) is a benzonitrile derivative. A study of the molecular structure, vibrational spectra and NBO analysis of 2A4CBN has been undertaken. Transformation of 2A4CBN into quinazoline-2,4(1H,3H)-diones at atmospheric pressure of CO2 in the presence of monomeric tungstate, TBA2[WO4] (TBA = tetra-n-butylammonium) has been reported. |
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