2-Bromo-4-chloro-6-iodobenzenamine
Basic information
- CAS
71757-16-9- Standard SMILES
Nc1c(Br)cc(Cl)cc1I- InChIKey
KGJQFAVZGHPELU-UHFFFAOYSA-N- Molecular formula
- C6H4BrClIN
- Average molar mass
- 332.36 g/mol
- Monoisotopic mass
- 330.82604
Names & identifiers
- Preferred name
- 2-Bromo-4-chloro-6-iodobenzenamine
- IUPAC
- 2-bromo-4-chloro-6-iodoaniline
- English name
- 2-Bromo-4-chloro-6-iodobenzenamine
- Molecular formula
- C6H4BrClIN
- Molecular weight
- 332.36
Names & synonyms
71757-16-92-Bromo-4-chloro-6-iodobenzenamineRefChem:2571822-bromo-4-chloro-6-iodoanilineBenzenamine, 2-bromo-4-chloro-6-iodo-MFCD24160443SCHEMBL10796712KGJQFAVZGHPELU-UHFFFAOYSA-N2-bromo-4-chloro-6-iodo-anilineDTXSID701297637AKOS030628753AS-63051
Show more names
SY490725Benzenamine, 2-?bromo-?4-?chloro-?6-?iodo-F531377
Database identifiers
- CAS
71757-16-9- PubChem CID
- 20216596
- DTXSID
DTXSID701297637
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 110.5 °C · 110.5 °C
- Boiling point
- 324.7 · 324.7±42.0 °C(Predicted)
- Density
- 2.341 · 2.341±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -0.16 · -0.16±0.10(Predicted)
- Appearance
- Off-white to gray Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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