CAS 51229-51-7 1-[4-(Bromomethyl)phenyl]ethan-1-one (HCID 583785)

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Basic information

CAS: 51229-51-7
Standard SMILES: CC(=O)c1ccc(CBr)cc1
InChIKey: HARITLZHGNEHDS-UHFFFAOYSA-N
Molecular formula: C9H9BrO
Average molar mass: 213.07 g/mol
Monoisotopic mass: 211.98368

Names & identifiers

Preferred name: 1-[4-(Bromomethyl)phenyl]ethan-1-one
IUPAC: 1-[4-(bromomethyl)phenyl]ethanone
English name: 1-(4-(Bromomethyl)phenyl)ethanone
Molecular formula: C9H9BrO
Molecular weight: 213.07

Names & synonyms

1-[4-(bromomethyl)phenyl]ethan-1-one1-(4-(bromomethyl)phenyl)ethan-1-oneRefChem:424398827-425-11-(4-(BROMOMETHYL)PHENYL)ETHANONE51229-51-71-[4-(Bromomethyl)phenyl]ethanoneEthanone, 1-[4-(bromomethyl)phenyl]-MFCD100014634'-(Bromomethyl)acetophenone4-acetylbenzyl bromide4'-BROMOMETHYLACETOPHENONE

Show more names

1-(4-(Bromomethyl)p-(Bromomethyl)acetophenone4’-(Bromomethyl)acetophenone1-(4-(bromethyl)phenyl)ethylone

p-Brommethyl-acetophenonDTXSID70342686SB73969SY039033EN300-783434 inverted exclamation mark -(Bromomethyl)acetophenonep-acetylbenzylbromidep-Acetylbenzyl bromide

Database identifiers

CAS: 51229-51-7
PubChem CID: 583785
DTXSID: DTXSID70342686
EC Number: 827-425-1
Nikkaji: J1.817.746C

Properties

Computed structural properties

XLogP: 2.3
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: 136

Physicochemical properties

Melting point: 38.5 · 38.5-40.0℃
Boiling point: 134 · 134-136℃ (5 Torr)
Density: 1.416 · 1.416±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2914390090 · 2914390090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2914390090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-(4-(Bromomethyl)phenyl)ethanone is useful in the synthesis of series of dihydropyrimidine and thiopyrimidine derivatives as antiviral agents.