1-(4-Bromo-2-thienyl)ethan-1-one

HCID 2735237

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Basic information

CAS: 7209-11-2
Standard SMILES: CC(=O)c1cc(Br)cs1
InChIKey: HXVLWNKFMNRJED-UHFFFAOYSA-N
Molecular formula: C6H5BrOS
Average molar mass: 205.07 g/mol
Monoisotopic mass: 203.92445

Names & identifiers

Preferred name: 1-(4-Bromo-2-thienyl)ethan-1-one
IUPAC: 1-(4-bromothiophen-2-yl)ethanone
English name: 1-(4-BROMO-2-THIENYL)ETHAN-1-ONE
Molecular formula: C6H5BrOS
Molecular weight: 205.07

Names & synonyms

1-(4-Bromo-2-Thienyl)Ethan-1-OneRefChem:424897639-335-82-acetyl-4-bromothiophene7209-11-21-(4-bromothiophen-2-yl)ethanone1-(4-Bromo-2-thienyl)-1-ethanone1-(4-Bromothiophen-2-yl)ethan-1-oneMFCD015665524-bromo-2-acetylthiophene1-(4-Bromo-2-Thienyl)Ethanone1-(4-Bromothien-2-yl)ethanone

Show more names

AKOS B020506BUTTPARK 95\04-34ART-CHEM-BB B0205062-Acetyl-4-bromothiophene 97%

Ethanone, 1-(4-bromo-2-thienyl)-1-(4-Bromo-2-ThSCHEMBL34504-bromo-2-acetyl-thiophene(4-bromothien-2-yl)ethanoneDTXSID80370632HXVLWNKFMNRJED-UHFFFAOYSA-NGEO-00023

Database identifiers

CAS: 7209-11-2
PubChem CID: 2735237
DTXSID: DTXSID80370632
EC Number: 639-335-8
Nikkaji: J3.319.524I

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 126

Physicochemical properties

Boiling point: 66 · 66-67°C 0,2mm
Density: 1.619 · 1.619±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 7209 · 7209-11-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-36-22
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 29339900 · 29339900

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.