3-Methoxy-benzaldehyde oxime
Basic information
- CAS
38489-80-4- Standard SMILES
COc1cccc(/C=N/O)c1- InChIKey
VDCBJAPSEUTPTQ-RMKNXTFCSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 3-Methoxy-benzaldehyde oxime
- IUPAC
- (NE)-N-[(3-methoxyphenyl)methylidene]hydroxylamine
- English name
- Benzaldehyde,3-methoxy-,o
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
3-Methoxy-benzaldehyde oximeRefChem:503194692-347-538489-80-43-Methoxybenzaldoxime(E)-3-methoxybenzaldehyde oxime52707-52-5m-MethoxybenzaldoximeN-[(3-methoxyphenyl)methylidene]hydroxylamineMFCD02256033(NE)-N-[(3-methoxyphenyl)methylidene]hydroxylamine[C(E)]-3-Methoxybenzaldehyde oxime
Show more names
Benzaldehyde,3-methoxy-,o(E/Z)-3-Methoxybenzaldehyde oxime
(C(E))-3-METHOXYBENZALDEHYDE OXIMENSC160238Benzaldehyde, 3-methoxy-, oximeNSC-160238(E)-N-[(3-methoxyphenyl)methylidene]hydroxylamineN-hydroxy-1-(3-methoxyphenyl)methanimine(e)-m-methoxybenzaldoxime3-Methoxybenzaldehyde oxime #
Database identifiers
- CAS
38489-80-4、52707-52-5- PubChem CID
- 9601243
- DTXSID
DTXSID201297149- UNII
- S8Z68Y829U
- EC Number
- 692-347-5
- Nikkaji
- J124.207E、J2.578.604A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 40 · 40-41 °C
- Boiling point
- 170 °C · 170 °C(Press: 26 Torr)
- Density
- 1.077 · 1.077±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.832 · 10.832±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302+H312+H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HazardClass
- IRRITANT
- HS Code
- 2913000090 · 2913000090
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+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319-H302+H312+H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…