3-Bromo-4,5-difluoroaniline
Basic information
- CAS
875664-41-8- Standard SMILES
Nc1cc(F)c(F)c(Br)c1- InChIKey
GYPOUGZGHDSUKH-UHFFFAOYSA-N- Molecular formula
- C6H4BrF2N
- Average molar mass
- 208 g/mol
- Monoisotopic mass
- 206.94952
Names & identifiers
- Preferred name
- 3-Bromo-4,5-difluoroaniline
- IUPAC
- 3-bromo-4,5-difluoroaniline
- English name
- 3-Bromo-4,5-difluoroaniline
- Molecular formula
- C6H4BrF2N
- Molecular weight
- 208
Names & synonyms
3-Bromo-4,5-difluoroaniline875664-41-8MFCD080623703-Bromo-4,5-difluoro anilineSCHEMBL15573666DTXSID30654737AKOS005257945AC-3712SCHEMBL296217433-bromo-4,5-difluorophenylamine3-Bromo-4,5-difluoro-phenylamineBBL101274
Show more names
CAS:875664-41-83-Bromo-4,5-difluoroaniline98%3-Bromo-4,5-difluoroaniline 98%3-Bromo-4,5-Difluoro-Benzenamine3-BROMO-4,5-DIFLUOROANILINE ISO 9001：2015 REACH
SBB093956STL555070Benzenamine, 3-bromo-4,5-difluoro-CS-W015245SB77825AS-33015SY106682DB-077008
Database identifiers
- CAS
875664-41-8- PubChem CID
- 42552913
- DTXSID
DTXSID30654737- EC Number
- 642-514-3
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 66 · 66-69°C
- Boiling point
- 252.8 · 252.8±35.0 °C(Predicted)
- Density
- 1.788 · 1.788±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 2.57 · 2.57±0.10(Predicted)
- form
- crystalline powder
- color
- Off-white/ faint pink
- Sensitive
- Moisture Sensitive
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 9 · 9-26-36/37
- RIDADR
- 2811 · UN2811
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
Danger
H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (71.4%)
Safety data
- ridadr
- UN2811
- hs_code
- 2921420090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 9-26-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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