Basic information
- CAS
18004-57-4- Standard SMILES
ON=Cc1c2ccccc2cc2ccccc12- InChIKey
HLGMTCSSRBPNOQ-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 9-Anthracenecarboxaldehyde, oxime
- IUPAC
- N-(anthracen-9-ylmethylidene)hydroxylamine
- English name
- Anthracene-9-carbaldehydeoxime
- Molecular formula
- C15H11NO
- Molecular weight
- 221.25
Names & synonyms
9-Anthracenecarboxaldehyde, oxime18004-57-4NSC 26820DTXSID0066294RefChem:107753DTXCID30357159-Anthraldehyde, oximeanthracene-9-carbaldehyde oximeSCHEMBL2449884DB-048685N-[(anthracen-9-yl)methylidene]hydroxylamine9-anthracenealdehyde oxime
Show more names
Anthracene-9-carbaldehydeoxime9-Anthracenecarbaldehyde oxime
Database identifiers
- CAS
18004-57-4- PubChem CID
- 86646
- DTXSID
DTXSID0066294
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 145 · 145-148 °C(Solvent: Water)
- Boiling point
- 424.571 · 424.571±14.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.161 · 1.161±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.681 · 10.681±0.30(predicted)
- EPA Substance Registry System
- 9 · 9-Anthracenecarboxaldehyde, oxime (18004-57-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Anthracenecarboxaldehyde, oxime: INACTIVE
Upstream & downstream products
Downstream products
Suppliers4 total
吉林中科研伸科技有限公司18143011203 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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