Basic information
- CAS
1003-98-1- Standard SMILES
Nc1ccc(F)cc1Br- InChIKey
YLMFXCIATJJKQL-UHFFFAOYSA-N- Molecular formula
- C6H5BrFN
- Average molar mass
- 190.01 g/mol
- Monoisotopic mass
- 188.95893948
Names & identifiers
- Preferred name
- 2-Bromo-4-fluoroaniline
- IUPAC
- 2-bromo-4-fluoroaniline
- English name
- 2-Bromo-4-fluoroaniline
- Molecular formula
- C6H5BrFN
- Molecular weight
- 190.01
Names & synonyms
2-Bromo-4-fluoroanilineYLMFXCIATJJKQL-UHFFFAOYSA-DTXSID00287632RefChem:466543DTXCID00238780619-469-3InChI=1/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H21003-98-1BENZENAMINE, 2-BROMO-4-FLUORO-2-Bromo-4-fluorobenzenamine2-bromo-4-fluoro-anilineMFCD00042462
Show more names
2-BROMO-4-FLUORO-PHENYLAMINEBromofluoroaniline12-Bromo-4-fluoroanil4-FLUORO-2-BROMOANILINE2-Bromo-4-fluoroaniline99%2-Bromo-4-fluoroaniline >2-Bromo-4-fluoroaniline 99%2-BROMO-4-FLUOROANILINE 98+%2-Bromo-4-fluoroaniline, 95%
NSC518702-bromo-4-fluoro aniline2-bromo-4-fluoro-BenzenamineEN300-357182-Bromo-4-fluoroaniline, 97%NSC-51870B18292-bromo-4-fluorophenylamine
Database identifiers
- CAS
1003-98-1- PubChem CID
- 242873
- DTXSID
DTXSID00287632- EC Number
- 619-469-3
- Nikkaji
- J1.175.423F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.1
Physicochemical properties
- Melting point
- 41 · 41
- Boiling point
- 221 °C · 221 °C (lit.)
- Density
- 1.67 g/mL · 1.67 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.583(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 2.6 · 2.60±0.10(Predicted)
- form
- Liquid
- color
- Clear yellow-brown
- Specific Gravity
- 1.67 · 1.670
- BRN
- 2802562 · 2802562
- InChI
- InChI=1S/C6H5BrFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
- InChIKey
- YLMFXCIATJJKQL-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(F)C=C1Br
- CAS DataBase Reference
- 1003 · 1003-98-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 2810 · UN2810
- WGK Germany
- 3 · 3
- Hazard Note
- Toxic
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214200 · 29214200
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (18.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (18.8%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN2810
- hs_code
- 29214200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Toxic
- safety_code
- 26-37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- 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
Uses2-Bromo-4-fluoroaniline is an organic compound that is an aniline derivative. It is mainly used as an organic synthesis reagent in experimental research.
General Description2-Bromo-4-fluoroaniline is an aryl fluorinated building block.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
39 records
Compound notes
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