CAS 62323-44-8 2-Bromo-5-ethylthiophene (HCID 22729112)

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Basic information

CAS: 62323-44-8
Standard SMILES: CCc1ccc(Br)s1
InChIKey: HYRYQZIGBWDHAD-UHFFFAOYSA-N
Molecular formula: C6H7BrS
Average molar mass: 191.09 g/mol
Monoisotopic mass: 189.94518

Names & identifiers

Preferred name: 2-Bromo-5-ethylthiophene
IUPAC: 2-bromo-5-ethylthiophene
English name: 2-Bromo-5-ethylthiophene
Molecular formula: C6H7BrS
Molecular weight: 191.09

Names & synonyms

2-BROMO-5-ETHYLTHIOPHENE62323-44-8DTXSID70627869RefChem:257338DTXCID90578622816-848-7MFCD12033305Thiophene, 2-bromo-5-ethyl-5-Bromo-2-ethylthiophene2-bromo-5-ethyl-thiopheneSCHEMBL223822SCHEMBL28175787

Show more names

SCHEMBL28770002HYRYQZIGBWDHAD-UHFFFAOYSA-NMCA32344AKOS015944067AT16365SB66999BS-49813SY317034

Database identifiers

CAS: 62323-44-8
PubChem CID: 22729112
DTXSID: DTXSID70627869
EC Number: 816-848-7
Nikkaji: J3.240.830C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 74

Physicochemical properties

Boiling point: 78.5 °C · 78.5 °C(Press: 11 Torr)
Density: 1.493 · 1.493
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C6H7BrS/c1-2-5-3-4-6(7)8-5/h3-4H,2H2,1H3
InChIKey: HYRYQZIGBWDHAD-UHFFFAOYSA-N
SMILES: C1(Br)SC(CC)=CC=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H302-H227-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H302-H227-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses2-Bromo-5-ethylthiophene is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.