Basic information
- CAS
29450-63-3- Standard SMILES
ON=Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
PNMGPRJUKKTPSV-UHFFFAOYSA-N- Molecular formula
- C7H2Cl5NO
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 290.857902
Names & identifiers
- Preferred name
- Benzaldehyde, pentachloro-, oxime
- IUPAC
- N-[(2,3,4,5,6-pentachlorophenyl)methylidene]hydroxylamine
- English name
- Pentachlorobenzaldehyde oxime
- Molecular formula
- C7H2Cl5NO
- Molecular weight
- 293.36
Names & synonyms
Pentachlorobenzaldehyde oximeCBA (pesticide)29450-63-3Benzaldehyde, pentachloro-, oximeRefChem:321229PentachlorbenzaldoximSCHEMBL11578091DTXSID809519652,3,4,5,6-pentachlorobenzaldehyde oximeN-[(Pentachlorophenyl)methylidene]hydroxylamineS-45862Hinokol
Show more names
Benzaldehyde, 2,3,4,5,6-pentachloro-, oxime
Database identifiers
- CAS
29450-63-3- PubChem CID
- 93129
- DTXSID
DTXSID80951965
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Density
- 1.6953 · 1.6953 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 2 g/kg JKXXAF #71-42796
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
- Toxicity
- LD50 orl-mus: 2 g/kg JKXXAF #71-42796
Chemistry & industry
Suppliers3 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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