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3-Nitrobenzyl bromide · CAS 3958-57-4 · C7H6BrNO2. UNII 4J66R95TMJ.
| CAS Registry Number | 3958-57-4 |
|---|---|
| PubChem CID | 77568 |
| Molecular formula | C7H6BrNO2 |
| IUPAC name | 1-(bromomethyl)-3-nitrobenzene |
| UNII (FDA) | 4J66R95TMJ |
| Molecular Weight | 216.03 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 214.95819 |
| Monoisotopic Mass | 214.95819 |
| Topological Polar Surface Area | 45.8 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Reported hazard statements | H314 (100%), H335 (87.5%) |
|---|
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
3-Nitrobenzyl bromide; 3958-57-4; m-Nitrobenzyl bromide; Benzene, 1-(bromomethyl)-3-nitro-; m-(Bromomethyl)nitrobenzene; alpha-Bromo-m-nitrotoluene; m-Nitro-alpha-bromotoluene; Toluene, alpha-bromo-m-nitro-; CCRIS 7970; EINECS 223-557-3; NSC 66499; DTXSID4063246; mNitrobenzyl bromide; alphaBromomnitrotoluene; mNitroalphabromotoluene; alphaBromo3nitrotoluene
CAS 3958-57-4; molecular formula C7H6BrNO2; molecular weight — g/mol.
3-Nitrobenzyl bromide, 3958-57-4, m-Nitrobenzyl bromide, Benzene, 1-(bromomethyl)-3-nitro-, m-(Bromomethyl)nitrobenzene, alpha-Bromo-m-nitrotoluene.
Hazard statements reported: H314, H335.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.