Basic information
- CAS
1958-93-6- Standard SMILES
O=[N+]([O-])c1cccc(F)c1CBr- InChIKey
KKSODTKRSQTJFZ-UHFFFAOYSA-N- Molecular formula
- C7H5BrFNO2
- Average molar mass
- 234.02 g/mol
- Monoisotopic mass
- 232.94876872
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-1-fluoro-3-nitrobenzene
- IUPAC
- 2-(bromomethyl)-1-fluoro-3-nitrobenzene
- English name
- 2-Fluoro-6-nitrobenzyl bromide
- Molecular formula
- C7H5BrFNO2
- Molecular weight
- 234.02
Names & synonyms
2-(Bromomethyl)-1-fluoro-3-nitrobenzene2-Bromomethyl-1-fluoro-3-nitrobenzeneGC63DSS929EINECS 217-801-8DTXSID60173244RefChem:84581DTXCID70957351958-93-62-Fluoro-6-nitrobenzyl bromideBenzene, 2-(bromomethyl)-1-fluoro-3-nitro-MFCD00042918UNII-GC63DSS929
Show more names
2-nitro-6-fluorobenzyl bromide2-Fluoro-6-nitrobenzylbromide98%2-Fluoro-6-nitrobenzyl bromide 98%2-FLUORO-6-NITROBENZYL BROMIDE ISO 9001：2015 REACH2-fluoro-6-nitrobenzyl bromide2-fluoro-6-nitrobenzyl bromide2-(Bromomethyl)-1-fluoro-3-nitrobenzene, alpha-Bromo-2-fluoro-6-nitrotoluene
2-Fluoro-6-nitrobenzylbromideSCHEMBL910029SBB098163AKOS0091593522-(bromomethyl)-3-fluoro-1-nitrobenzeneAS-39157SY0028382-(bromomethyl)-1-fluoro-3-nitro-benzene
Database identifiers
- CAS
1958-93-6- PubChem CID
- 74779
- DTXSID
DTXSID60173244
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 53 · 53-54°C
- Boiling point
- 275.5 · 275.5±25.0 °C(Predicted)
- Density
- 1.733 · 1.733±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystalline powder
- color
- Yellow
- Water Solubility
- Insoluble in water.
- Sensitive
- Lachrymatory
- BRN
- 2503670 · 2503670
- CAS DataBase Reference
- 1958 · 1958-93-6(CAS DataBase Reference)
- FDA UNII
- 63 DSS929 · GC63DSS929
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- Hazard Codes
- C
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
H314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-(Bromomethyl)-1-fluoro-3-nitrobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (15.2%)
Safety data
- ridadr
- 3261
- hs_code
- 2904990090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H314-H318
- Precautionary statements
Chemistry & industry
Applications
UsesNitobenzyl ester based nonionic PAGs (NIPAG 2) NIPAG 2 was prepared from 2-fluoro-6-nitrobenzyl bromide with silver sulfonate.
Upstream & downstream products
Downstream products
Suppliers60 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[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]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
6 records
Compound notes
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