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Basic information
- CAS
2058-89-1- Standard SMILES
O/N=C/c1cc[n+](C[n+]2ccc(/C=N/O)cc2)cc1.[Br-].[Br-]- InChIKey
ZKQNRRLCBJUEBC-UHFFFAOYSA-N- Molecular formula
- C13H14Br2N4O2
- Average molar mass
- 418.08 g/mol
- Monoisotopic mass
- 415.94835
Names & identifiers
- Preferred name
- Mmb-4
- IUPAC
- (NE)-N-[[1-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine dibromide
Names & synonyms
MMB-4RefChem:10897732058-89-11,1'-Methylenebis(4-formylpyridinium) dibromide dioximePyridinium, 1,1'-methylenebis(4-formyl-, dibromide, dioximeMETHOXIME BROMIDE1,1'-Methylenebis(4-((hydroxyimino)methyl)pyridinium) dibromidePyridinium, 1,1'-methylenebis(4-((hydroxyimino)methyl)-, dibromideSCHEMBL29354971HY-169512T204634
Database identifiers
- CAS
2058-89-1- PubChem CID
- 135545784
- ChEMBL
CHEMBL451825- EC Number
- 809-056-8
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 276
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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