Basic information
- CAS
1426073-33-7- Standard SMILES
COc1c(Br)ccc(C#N)c1F- InChIKey
DSYSEUICIGILGV-UHFFFAOYSA-N- Molecular formula
- C8H5BrFNO
- Average molar mass
- 230.03 g/mol
- Monoisotopic mass
- 228.95385
Names & identifiers
- Preferred name
- 4-Bromo-2-fluoro-3-methoxybenzonitrile
- IUPAC
- 4-bromo-2-fluoro-3-methoxybenzonitrile
- English name
- 4-Bromo-2-fluoro-3-methoxybenzonitrile
- Molecular formula
- C8H5BrFNO
- Molecular weight
- 230.03
Names & synonyms
4-bromo-2-fluoro-3-methoxybenzonitrile1426073-33-7RefChem:519669995-446-4MFCD237074014-Bromo-2-fluoro-3-methoxy-benzonitrile6-Bromo-3-cyano-2-fluoroanisoleBenzonitrile, 4-bromo-2-fluoro-3-methoxy-SCHEMBL14720150DSYSEUICIGILGV-UHFFFAOYSA-NCL9394AKOS024462698
Show more names
BS-15373DA-10396SY355223CS-0150534F462799
Database identifiers
- CAS
1426073-33-7- PubChem CID
- 71270750
- EC Number
- 995-446-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 267.1 · 267.1±40.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2926907090 · 2926907090
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-2-fluoro-3-methoxybenzonitrile is used as a reagent in the synthesis of piperazinopiperazines and related compounds as renal outer medullary potassium (ROMK) channel inhibitors.
Suppliers24 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
2 records
Compound notes
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