Basic information
- CAS
1551095-44-3- Standard SMILES
CC(C)(C)c1ccc(C=NO)cc1- InChIKey
WVWXUAUBKHCCSV-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- N-[(4-tert-butylphenyl)methylidene]hydroxylamine
- IUPAC
- N-[(4-tert-butylphenyl)methylidene]hydroxylamine
- English name
- 4-(tert-Butyl)benzenecarbaldehyde oxime
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
N-[(4-tert-butylphenyl)methylidene]hydroxylamineN-((4-tert-butylphenyl)methylidene)hydroxylamineRefChem:823081997-196-11551095-44-34-tert-butylbenzaldehyde oximeBenzaldehyde, 4-(1,1-dimethylethyl)-, oxime4-tert-Butyl-benzaldehyde oximeSCHEMBL2205548DTXSID90361571WVWXUAUBKHCCSV-UHFFFAOYSA-NAKOS017263879
Show more names
4-(tert-Butyl)benzenecarbaldehyde oxime
Database identifiers
- CAS
1551095-44-3、180261-48-7- PubChem CID
- 1275951
- DTXSID
DTXSID90361571- EC Number
- 997-196-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 105 · 105-107°
- Boiling point
- 253 · 253.0±19.0 °C(Predicted)
- Density
- 0.95 · 0.95±0.1 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.10(Predicted)
- HazardClass
- IRRITANT
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P362+P364, 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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
13 records
Compound notes
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