2-Chloro-6-fluoro-3-methoxybenzyl bromide
Basic information
- CAS
886499-54-3- Standard SMILES
COc1ccc(F)c(CBr)c1Cl- InChIKey
BIXHHCSLGATAOQ-UHFFFAOYSA-N- Molecular formula
- C8H7BrClFO
- Average molar mass
- 253.49 g/mol
- Monoisotopic mass
- 251.93528
Names & identifiers
- Preferred name
- 2-Chloro-6-fluoro-3-methoxybenzyl bromide
- IUPAC
- 2-(bromomethyl)-3-chloro-1-fluoro-4-methoxybenzene
- English name
- 2-CHLORO-6-FLUORO-3-METHOXYBENZYL BROMIDE
- Molecular formula
- C8H7BrClFO
- Molecular weight
- 253.5
Names & synonyms
2-CHLORO-6-FLUORO-3-METHOXYBENZYL BROMIDE886499-54-3DTXSID10397539RefChem:259085DTXCID00348398679-331-32-(bromomethyl)-3-chloro-1-fluoro-4-methoxybenzeneMFCD04115945SCHEMBL14974002BIXHHCSLGATAOQ-UHFFFAOYSA-NSBB101284AKOS015956765
Show more names
Benzene, 2-(bromomethyl)-3-chloro-1-fluoro-4-methoxy-
JS-4292SY2280336-Chloro-2-fluoro-5-methoxybenzyl BromideDB-103760D954602-CHLORO-6-FLUORO-3-METHOXYBENZYLBROMIDEF342404
Database identifiers
- CAS
886499-54-3- PubChem CID
- 3863293
- DTXSID
DTXSID10397539- EC Number
- 679-331-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 48 · 48-50℃
- Boiling point
- 277.9 · 277.9±35.0 °C(Predicted)
- Density
- 1.593 · 1.593±0.06 g/cm3(Predicted)
- form
- crystals
- color
- White
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 2909309090 · 2909309090
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 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- hs_code
- 2909309090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Precautionary statements
- P280-P305+P351+P338-P309-P310
Suppliers
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Related reactions
1 records
Compound notes
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