4-Amino-2-bromo-6-chlorophenol
Basic information
- CAS
1158322-54-3- Standard SMILES
Nc1cc(Cl)c(O)c(Br)c1- InChIKey
CFMMTSSIIJSWNG-UHFFFAOYSA-N- Molecular formula
- C6H5BrClNO
- Average molar mass
- 222.47 g/mol
- Monoisotopic mass
- 220.9243
Names & identifiers
- Preferred name
- 4-Amino-2-bromo-6-chlorophenol
- IUPAC
- 4-amino-2-bromo-6-chlorophenol
- English name
- 3-Bromo-5-chloro-4-hydroxyaniline
- Molecular formula
- C6H5BrClNO
- Molecular weight
- 222.47
Names & synonyms
4-AMINO-2-BROMO-6-CHLOROPHENOL1158322-54-3MFCD12402422Phenol, 4-amino-2-bromo-6-chloro-SCHEMBL9933014DTXSID80603412AKOS0052170704-azanyl-2-bromanyl-6-chloranyl-phenolBS-19475DB-396396H848783-Bromo-5-chloro-4-hydroxyaniline
Show more names
4-amino-2-bromo-6-chlorophenol hydrochloride
Database identifiers
- CAS
1158322-54-3- PubChem CID
- 20195391
- DTXSID
DTXSID80603412
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 298.7 · 298.7±40.0 °C(Predicted)
- Density
- 1.88 · 1.880±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 7.23 · 7.23±0.23(Predicted)
- form
- solid
- InChI
- InChI=1S/C6H5BrClNO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H,9H2
- InChIKey
- CFMMTSSIIJSWNG-UHFFFAOYSA-N
- SMILES
- C1(O)=C(Cl)C=C(N)C=C1Br
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…