4-(2-Thienyl)-3-buten-2-one

HCID 178895485CAS 33603-63-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)/C=C/c1cccs1
InChIKey
CIMALVIHZVKKPE-SNAWJCMRSA-N
Molecular formula
C8H8OS
Average molar mass
152.22 g/mol

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(3E)-4-(Thiophen-2-yl)but-3-en-2-one(E)-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-ONE4-Thiophen-2-yl-but-3-en-2-one4-(2-Thienyl)but-3-en-2-one ,97%Trans-4-(2-Thienyl)-3-Butene-2-One3-Buten-2-one,4-(2-thienyl)-, (3E)-
MFCD00053051(E)-4-thiophen-2-ylbut-3-en-2-one(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
33603-63-3
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

Physicochemical properties

Melting point
25 · 25-26 °C(lit.)
Boiling point
244.7 °C · 244.7°C (rough estimate)
Density
1.151 g/mL · 1.151 g/mL at 25 °C(lit.)
refractive index
1.5405 · 1.5405 (estimate)
Flash point
230 °F · 230 °F
storage temp.
2 · Storage temp. 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

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
safety_code
23-24/25

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers23 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]

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4-(2-Thienyl)-3-buten-2-one (HCID 178895485)｜Huagongshe