CAS 38042-10-3 2-(4-Chlorophenyl)propanal (HCID 587036)

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Basic information

CAS: 38042-10-3
Standard SMILES: CC(C=O)c1ccc(Cl)cc1
InChIKey: QZJGYKZZJQQIEP-UHFFFAOYSA-N
Molecular formula: C9H9ClO
Average molar mass: 168.62 g/mol
Monoisotopic mass: 168.03419259

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)propanal
IUPAC: 2-(4-chlorophenyl)propanal
English name: Benzeneacetaldehyde, 4-chloro-α-methyl-
Molecular formula: C9H9ClO
Molecular weight: 168.62

Names & synonyms

2-(4-Chlorophenyl)propanal38042-10-3DTXSID30343058RefChem:252264DTXCID902941382-(4-CHLORO-PHENYL)-PROPIONALDEHYDE2-(4-chlorophenyl)propionaldehydeBenzeneacetaldehyde, 4-chloro-a-methyl-SCHEMBL96816SCHEMBL968172-(4-Chlorophenyl)propanal #SCHEMBL27821416

Show more names

Benzeneacetaldehyde, 4-chloro-α-methyl-

NBA04210AKOS006315141DB-354839CS-0243624Benzeneacetaldehyde, 4-chloro-.alpha.-methyl-EN300-266408F8884-2210Z1198334992

Database identifiers

CAS: 38042-10-3
PubChem CID: 587036
DTXSID: DTXSID30343058
EC Number: 982-011-9
Nikkaji: J487.238J

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 128

Physicochemical properties

Boiling point: 244.1 · 244.1±15.0 °C(Predicted)
Density: 1.133 · 1.133±0.06 g/cm3(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses2-(4-Chlorophenyl)propanal is used as a reactant in the preparation of rhodium supported on PAMAM dendronized magnetic nanoparticles used as highly selective hydroformylation catalysts.