Basic information
- CAS
615-57-6- Standard SMILES
Nc1ccc(Br)cc1Br- InChIKey
DYSRXWYRUJCNFI-UHFFFAOYSA-N- Molecular formula
- C6H5Br2N
- Average molar mass
- 250.92 g/mol
- Monoisotopic mass
- 248.87887336
Names & identifiers
- Preferred name
- 2,4-Dibromoaniline
- IUPAC
- 2,4-dibromoaniline
- English name
- 2,4-Dibromoaniline
- Molecular formula
- C6H5Br2N
- Molecular weight
- 250.92
Names & synonyms
2,4-DIBROMOANILINE615-57-6Benzenamine, 2,4-dibromo-2,4-dibromobenzenamineNSC 883248D6YF8BB75ANILINE, 2,4-DIBROMO-EINECS 210-434-4NSC-88324DTXSID4060654RefChem:443232DTXCID9043063
Show more names
2,4-dibromo-benzenaminSKL2552,4-Dibromanilin2,4-Dibromoaniline >2,4-Dibromoaniline 98%2,4-Dibromoaniline, 98+%2 4-DIBROMOANILINE 98% (GC)
210-434-4InChI=1/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2.4-DibromoanilineMFCD00007633MLS00073716363505-64-62,4-Dibromo-phenylamineDibromobenzenamine
Database identifiers
- CAS
615-57-6、63505-64-6- PubChem CID
- 12004
- DTXSID
DTXSID4060654- ChEMBL
CHEMBL1710125- UNII
- 8D6YF8BB75
- EC Number
- 210-434-4
- Nikkaji
- J95.568J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 78 · 78-80 °C (lit.)
- Boiling point
- 156 °C · 156 °C (24 mmHg)
- Density
- 2.26 · 2.26
- refractive index
- 1.58 · 1.5800 (estimate)
- Flash point
- 156 °C/24mm · 156°C/24mm
- storage temp.
- 30 °C · Store below +30°C.
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- pka
- 1.83 · 1.83±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 2206653 · 2206653
- InChI
- InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChIKey
- DYSRXWYRUJCNFI-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(Br)C=C1Br
- CAS DataBase Reference
- 615 · 615-57-6(CAS DataBase Reference)
- FDA UNII
- 8 D6YF8BB75 · 8D6YF8BB75
- NIST Chemistry Reference
- 2 · Benzenamine, 2,4-dibromo-(615-57-6)
- EPA Substance Registry System
- 2 · 2,4-Dibromoaniline (615-57-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
- target organs
- Respiratory system
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- Xn,Xi,N,T
- Risk Statements
- 36 · 36/37/38-33-20/21/22-51/53-25
- Safety Statements
- 36 · 36/37/39-26-61-45
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214210 · 29214210
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 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. 3 (89.4%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29214210
- risk_code
- 36/37/38-33-20/21/22-51/53-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi,N,T
- safety_code
- 36/37/39-26-61-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2,4-dibromo-: INACTIVE
Applications
Uses2,4-Dibromoaniline is used in preparation of glycopeptides and targeted bifunctional degraders.
Uses2,4-Dibromoaniline can be used as:A starting material to synthesize acetylenic amine by reacting with trimethylsilylacetylene, which is used as a ligand to prepare the bis-amido complex of Ti(IV).A substrate in the Pd-catalyzed ortho-selective cross-coupling reactions of dihaloarenes with Grignard reagents.A reactant to prepare dialkyl-substituted aminoaryl sulfides using a Grignard reagent.A starting material to synthesize substituted 2-mercapto benzimidazoles.
Upstream & downstream products
Downstream products
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Related reactions
33 records
Compound notes
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