Basic information
- CAS
2924-09-6- Standard SMILES
Nc1cc(Br)ccc1F- InChIKey
ADWKOCXRCRSMLQ-UHFFFAOYSA-N- Molecular formula
- C6H5BrFN
- Average molar mass
- 190.01 g/mol
- Monoisotopic mass
- 188.95894
Names & identifiers
- Preferred name
- 5-Bromo-2-fluoroaniline
- IUPAC
- 5-bromo-2-fluoroaniline
- English name
- 5-BROMO-2-FLUOROANILINE
- Molecular formula
- C6H5BrFN
- Molecular weight
- 190.01
Names & synonyms
5-Bromo-2-fluoroaniline2924-09-65-bromo-2-fluorobenzenamineDTXSID40951845RefChem:533214DTXCID30896312608-331-8BENZENAMINE, 5-BROMO-2-FLUORO-2-Fluoro-5-Bromoaniline5-bromo-2-fluorophenylamineMFCD030941811-Amino-5-bromo-2-fluorobenzene
Show more names
0/6/245-Bromo Aniline5-BROMO-2-FLUOROANIL5-Bromo-2-fuoroaniline2,4-di(propan-2-yl)phenol5-Bromo-2-fluoroaniline ,98%
5-bromo-2fluoroanilineSCHEMBL109380EN300-42851AKOS008901335PS-8399B30435-Bromo-2-fluoro-phenylamineAM20060791
Database identifiers
- CAS
2924-09-6- PubChem CID
- 2769407
- DTXSID
DTXSID40951845- UNII
- M53TB7QB39
- EC Number
- 608-331-8
- Nikkaji
- J3.484.453D
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
- 27 ℃ · 27℃
- Boiling point
- 105 °C · 105 °C / 12mmHg
- Density
- 1.694 · 1.694±0.06 g/cm3(Predicted)
- refractive index
- 1.59 · 1.59
- Flash point
- 27 °C · 27 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Solid
- pka
- 2.13 · 2.13±0.10(Predicted)
- color
- White or Colorless to Yellow to Orange
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C6H5BrFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
- InChIKey
- ADWKOCXRCRSMLQ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(Br)=CC=C1F
- CAS DataBase Reference
- 2924 · 2924-09-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 4 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. 3 (50%)
Safety data
- ridadr
- 2811
- hs_code
- 29214990
- risk_code
- 22-36-52-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- T,Xi,Xn
- hazard_note
- Toxic
- safety_code
- 26-60-36/37-9
- hazard_class
- 6.1
- Hazard statements
- H302+H312+H332-H315-H319-H302-H312-H331-H335
- Precautionary statements
- P304+P340-P305+P351+P338-P405-P501a-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses5-Bromo-2-fluoroaniline is used as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
33 records
Compound notes
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