4-(2-Thienyl)-3-buten-2-one
Basic information
- CAS
874-83-9- Standard SMILES
CC(=O)/C=C/c1cccs1- InChIKey
CIMALVIHZVKKPE-SNAWJCMRSA-N- Molecular formula
- C8H8OS
- Average molar mass
- 152.22 g/mol
- Monoisotopic mass
- 152.02958605
Names & identifiers
- Preferred name
- 4-(2-Thienyl)-3-buten-2-one
- IUPAC
- (E)-4-thiophen-2-ylbut-3-en-2-one
- English name
- 4-(2-Thienyl)but-3-en-2-one
- Molecular formula
- C8H8OS
- Molecular weight
- 152.21
Names & synonyms
874-83-94-(2-Thienyl)-3-buten-2-one4-(thiophen-2-yl)but-3-en-2-oneDTXSID001310167RefChem:512791DTXCID701740024867-663-34-(2-THIENYL)BUT-3-EN-2-ONE33603-63-3trans-4-(2-Thienyl)-3-buten-2-one(E)-4-(thiophen-2-yl)but-3-en-2-one(3E)-4-(Thiophen-2-yl)but-3-en-2-one
Show more names
LABOTEST-BB LT000532751-(2-THIENYL)BUT-1-EN-3-ONE1-(2-THIENYL)-1-BUTEN-3-ONE1-(2-Thienyl)-1-butene-3-one3-Buten-2-one, 4-(2-thienyl)-4-(2-Thienyl)-3-buten-2-one,97%(E)-4-thiophen-2-yl-3-buten-2-one
(E)-4-thiophen-2-ylbut-3-en-2-oneMFCD00053051(E)-4-(2-thienyl)but-3-en-2-one4-(2-Thienyl)-3-buten-2-one (mixt. of cis and trans)(3E)-4-(2-thienyl)but-3-en-2-one(3E)-4-(2-Thienyl)-3-buten-2-oneSCHEMBL369705CHEMBL419920
Database identifiers
- CAS
874-83-9- PubChem CID
- 735949
- ChEMBL
CHEMBL419920- EC Number
- 867-663-3
- Nikkaji
- J1.328.306K、J443.404H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 25 · 25-26 °C(lit.)
- Boiling point
- 86 · 86-88 °C (1 mmHg)
- Density
- 1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
- refractive index
- 1.6285 · 1.6285-1.6315
- Flash point
- 230 °F · 230 °F
- CAS DataBase Reference
- 874 · 874-83-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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