2,6-Dibromo-4-chloroaniline
Basic information
- CAS
874-17-9- Standard SMILES
Nc1c(Br)cc(Cl)cc1Br- InChIKey
XEYLQXUJSOJWJV-UHFFFAOYSA-N- Molecular formula
- C6H4Br2ClN
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 282.8399
Names & identifiers
- Preferred name
- 2,6-Dibromo-4-chloroaniline
- IUPAC
- 2,6-dibromo-4-chloroaniline
- English name
- 2,6-Dibromo-4-chloroaniline
- Molecular formula
- C6H4Br2ClN
- Molecular weight
- 285.36
Names & synonyms
2,6-Dibromo-4-chloroaniline874-17-94-Chloro-2,6-dibromoanilineDTXSID50347735RefChem:445329DTXCID80298807618-012-5Benzenamine, 2,6-dibromo-4-chloro-MFCD000517502,6-dibromo-4-chloro-anilineSCHEMBL1639812AKOS000108235
Show more names
LABOTEST-BB LT011478134-chloro-4,6-dibromoaniline4-Chloro-2,6-dibromoaniline >4-CHLORO-2,6-DIBROMOANILINE, 98+%2,6-Dibromo-4-chloroaniline, 98+%1-Amino-4-chloro-2,6-dibromobenzene2,6-Dibromo-4-chloroaniline ISO 9001：2015 REACH
AS-59031SY048887EN300-1919682,6-dibromo-4-chlorophenylamineBB 0243577FT-0618003BBL000062SBB058440
Database identifiers
- CAS
874-17-9- PubChem CID
- 625286
- DTXSID
DTXSID50347735- EC Number
- 618-012-5
- Nikkaji
- J257.646E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 94 · 94-96 °C(lit.)
- Boiling point
- 301 °C · 301 °C
- Density
- 2.097 · 2.097±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- -0.16 · -0.16±0.10(Predicted)
- color
- White to Brown
- BRN
- 2803730 · 2803730
- InChI
- 1S/C6H4Br2ClN/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,10H2
- InChIKey
- XEYLQXUJSOJWJV-UHFFFAOYSA-N
- SMILES
- Nc1c(Br)cc(Cl)cc1Br
- CAS DataBase Reference
- 874 · 874-17-9(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (10.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (10.9%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2921420090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-24/25-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-2,6-dibromoaniline is a symmetrical chlorodibromo aniline. 4-Chloro-2,6-dibromoaniline was prepared by bromination of p-chloroaniline.
General Description4-Chloro-2,6-dibromoaniline is a symmetrical chlorodibromo aniline. 4-Chloro-2,6-dibromoaniline was prepared by bromination of p-chloroaniline.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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