5388-62-5

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5388-62-5 Structure

Identification	Back Directory
[Name] 4-CHLORO-2,6-DINITROANILINE
[CAS] 5388-62-5
[Synonyms] TIMTEC-BB SBB003374 4-CHLORO-2,6-DINITROANILINE 2,6-dinitro-4-chloro-anilin 4-chloro-2,6-dinitro-anilin 2,6-DINITRO-4-CHLOROANILINE 4-chloro-2,6-dinitro-benzenamin 4-chloro-2,6-dinitro-Benzenamine benzenamine,-chloro-2,6-dinitro- Benzenamine, 4-chloro-2,6-dinitro-
[EINECS(EC#)] 226-381-5
[Molecular Formula] C6H4ClN3O4
[MDL Number] MFCD00075113
[MOL File] 5388-62-5.mol
[Molecular Weight] 217.57

Chemical Properties	Back Directory
[Melting point ] 145-147 °C (lit.)
[Boiling point ] 280°C (rough estimate)
[density ] 2.0410 (rough estimate)
[refractive index ] 1.6000 (estimate)
[pka] -6.03±0.25(Predicted)
[InChI] 1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2
[InChIKey] CLMQUEQFVUMDPC-UHFFFAOYSA-N
[SMILES] Nc1c(cc(Cl)cc1[N+]([O-])=O)[N+]([O-])=O
[EPA Substance Registry System] 4-Chloro-2,6-dinitroaniline (5388-62-5)

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] 20/21/22-36/37/38
[Safety Statements ] 26-28-36/37/39-45
[WGK Germany ] 3
[RTECS ] BX9250000
[TSCA ] TSCA listed
[Storage Class] 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
[Hazard Classifications] Acute Tox. 1 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral Aquatic Chronic 2 STOT RE 2
[Hazardous Substances Data] 5388-62-5(Hazardous Substances Data)

Hazard Information	Back Directory
[Uses] Standard molar enthalpy of formation of 4-chloro-2,6-dinitroaniline has been evaluated.
[General Description] Standard molar enthalpy of formation of 4-chloro-2,6-dinitroaniline has been evaluated.

Spectrum Detail	Back Directory
[Spectrum Detail] 4-CHLORO-2,6-DINITROANILINE(5388-62-5)¹HNMR 4-CHLORO-2,6-DINITROANILINE(5388-62-5)IR

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