Basic information
- CAS
13372-80-0- Standard SMILES
CC(C)c1ccc(C=NO)cc1- InChIKey
NVKXBDITZDURNJ-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 4-(1-Methylethyl)benzaldehyde oxime
- IUPAC
- N-[(4-propan-2-ylphenyl)methylidene]hydroxylamine
- English name
- 4-(isopropyl)benzaldehyde oxime
- Molecular formula
- C10H13NO
- Molecular weight
- 163.21632
Names & synonyms
4-(1-Methylethyl)benzaldehyde oximeRefChem:28671713372-80-0N-{[4-(propan-2-yl)phenyl]methylidene}hydroxylaminecumaldehyde oxime4-isopropylbenzaldoximeSCHEMBL2164208NVKXBDITZDURNJ-UHFFFAOYSA-NDTXSID8012932523717-18-8NAA37280AKOS017263850
Show more names
Ai3-07311Einecs 236-448-0Benzaldehyde, 4-(1-methylethyl)-, oximeBenzaldehyde, 4-(1-methylethyl)-, oxime (9CI)
Database identifiers
- CAS
13372-80-0- PubChem CID
- 96358
- DTXSID
DTXSID801293252- EC Number
- 236-448-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 238.7 · 238.7±19.0 °C(Predicted)
- Density
- 0.98 · 0.98±0.1 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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, P319, P321, P330, P332+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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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