Basic information
- CAS
2089-36-3- Standard SMILES
ON=Cc1ccc2c(c1)OCO2- InChIKey
VDAJDWUTRXNYMU-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carbaldehyde oxime
- IUPAC
- N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamine
- English name
- PIPERONALDOXIME
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
Benzo[1,3]dioxole-5-carbaldehyde oxime3,4-Methylenedioxybenzaldehyde oxime1,3-Benzodioxole-5-carbaldehyde oximeMaybridge1_006833N-(1,3-benzodioxol-5-ylmethylidene)hydroxylamineSCHEMBL2006699DTXSID70943152VDAJDWUTRXNYMU-UHFFFAOYSA-NAKOS030229143SB35245DB-045424(hydroxyimino)-(benzo[3,4-d]1,3-dioxolan-5-yl)methane
Show more names
Nsc27012AKOS B004101PIPERONAL OXIMEPIPERONALDOXIMEGlecaprevir Impurity 53,4-methylenedioxybenzaldoxime1,3-benzodioxole-5-carboxaldoxime
N-[(2H-1,3-Benzodioxol-5-yl)methylidene]hydroxylamine
Database identifiers
- CAS
2089-36-3- PubChem CID
- 95280
- DTXSID
DTXSID70943152
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 114 · 114-116°C
- storage temp.
- 2 · 2-8°C
- BRN
- 83661 · 83661
- CAS DataBase Reference
- 2089 · 2089-36-3(CAS DataBase Reference)
- Hazard statements
- 303 · H303
- Safety Statements
- 22 · 22-24/25
- RTECS
- 1950000 · TO1950000
- Toxicity
- 50 · mouse,LD50,oral,> 2gm/kg (2000mg/kg),Medicina Experimentalis. Vol. 11, Pg. 137, 1964.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- TO1950000
- Toxicity
- mouse,LD50,oral,> 2gm/kg (2000mg/kg),Medicina Experimentalis. Vol. 11, Pg. 137, 1964.
- safety_code
- 22-24/25
- Hazard statements
- H303
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers25 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
中梦研（湖北）科技有限公司0717-6300888 18062399888 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
1 records
Compound notes
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