Basic information
- CAS
40360-28-9- Standard SMILES
N=C1N=C(N)c2c(Cl)c(Cl)c(Cl)c(Cl)c21- InChIKey
ZUXXEBDVLVNWTK-UHFFFAOYSA-N- Molecular formula
- C8H3Cl4N3
- Average molar mass
- 282.9 g/mol
- Monoisotopic mass
- 280.908108
Names & identifiers
- Preferred name
- 1H-Isoindol-3-amine, 4,5,6,7-tetrachloro-1-imino-
- IUPAC
- 4,5,6,7-tetrachloro-3-iminoisoindol-1-amine
- English name
- 3-AMINO-4,5,6,7-TETRACHLORO-1-IMINO-1H-ISOINDOLE
- Molecular formula
- C8H3Cl4N3
- Molecular weight
- 282.94
Names & synonyms
40360-28-91H-Isoindol-3-amine, 4,5,6,7-tetrachloro-1-imino-DTXSID6068224RefChem:438794DTXCID70397574,5,6,7-Tetrachloro-1-imino-1H-isoindol-3-amine3-Amino-4,5,6,7-tetrachloro-1-imino-1H-isoindoleSCHEMBL3143997SCHEMBL51576974,5,6,7-tetrachloro-1,3-diiminoisoindoline1,3-diimino-4,5,6,7-tetrachloro-isoindoline4,5,6,7-Tetrachloro-1,3-diimino-2H-isoindole
Show more names
4,5,6,7-Tetrachloro-1H-isoindole-1,3(2H)-diimine3-Amino-4,5,6,7-tetrachloro-1-imino-2-aza-1H-indene
Database identifiers
- CAS
40360-28-9- PubChem CID
- 13627736
- DTXSID
DTXSID6068224- Nikkaji
- J105.982C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Boiling point
- 444.7 · 444.7±55.0 °C(Predicted)
- Density
- 2.02 · 2.02±0.1 g/cm3(Predicted)
- pka
- 4.07 · 4.07±0.20(Predicted)
- EPA Substance Registry System
- 1 H-Isoindol-3-amine, · 1H-Isoindol-3-amine, 4,5,6,7-tetrachloro-1-imino- (40360-28-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Isoindol-3-amine, 4,5,6,7-tetrachloro-1-imino-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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