CAS 134610-32-5 1-(3,4-Dimethoxy-5-nitrophenyl)ethanone (HCID 4151473)

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Basic information

CAS: 134610-32-5
Standard SMILES: COc1cc(C(C)=O)cc([N+](=O)[O-])c1OC
InChIKey: FNVILAFBAWUBRW-UHFFFAOYSA-N
Molecular formula: C10H11NO5
Average molar mass: 225.2 g/mol

Names & identifiers

Preferred name: 1-(3,4-Dimethoxy-5-nitrophenyl)ethanone
IUPAC: 1-(3,4-dimethoxy-5-nitrophenyl)ethanone
English name: 1-(3,4-Dimethoxy-5-nitrophenyl)ethanone
Molecular formula: C10H11NO5
Molecular weight: 225.2

Names & synonyms

1-(3,4-dimethoxy-5-nitrophenyl)ethanone134610-32-5MFCD039320141-(3,4-dimethoxy-5-nitrophenyl)ethan-1-oneEthanone, 1-(3,4-dimethoxy-5-nitrophenyl)-1-(3,4-dimethoxy-5-nitro-phenyl)ethanoneSCHEMBL7370467FNVILAFBAWUBRW-UHFFFAOYSA-NAKOS0221893683',4'-dimethoxy-5'-nitroacetophenoneSY491117CS-0155125

Show more names

1-(3,4-Dimethoxy-5-nitrophenyl)ethanone - [D92870]

D82794EN300-1839764F4536623 inverted exclamation mark ,4 inverted exclamation mark -Dimethoxy-5 inverted exclamation mark -nitroacetophenone

Database identifiers

CAS: 134610-32-5
PubChem CID: 4151473
EC Number: 123-811-2

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 275

Physicochemical properties

Melting point: 89 °C · 89 °C
Boiling point: 343.4 · 343.4±37.0 °C(Predicted)
Density: 1.245 · 1.245±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501