2-Acetyl-5-iodothiophene

HCID 96569
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Substructure searchFind similar structures

Basic information

CAS
30955-94-3
Standard SMILES
CC(=O)c1ccc(I)s1
InChIKey
XBUCSKKBSJSRLJ-UHFFFAOYSA-N
Molecular formula
C6H5IOS
Average molar mass
252.07 g/mol
Monoisotopic mass
251.91058378

Names & identifiers

Preferred name
2-Acetyl-5-iodothiophene
IUPAC
1-(5-iodothiophen-2-yl)ethanone
English name
2-ACETYL-5-IODOTHIOPHENE
Molecular formula
C6H5IOS
Molecular weight
252.07

Names & synonyms

2-Acetyl-5-iodothiopheneRefChem:462841623-801-230955-94-31-(5-iodothiophen-2-yl)ethanoneEthanone, 1-(5-iodo-2-thienyl)-5-iodo-2-acetylthiopheneMFCD02093967NSC 803871-(5-iodothiophen-2-yl)ethan-1-one1-(5-iodo-2-thienyl)ethanone5-acetyl-2-iodothiophene
Show more names
1-(5-iodo-2-thiophenyl)ethanone1-(5-Iodothiophen-2-yl)ethanone - [K93569]
NSC-80387C6H5IOSNSC8038728JV2HVZ56SCHEMBL3042810DTXSID601849362-Acetyl-5-iodothiophene, 97%BUTTPARK 121\08-12

Database identifiers

CAS
30955-94-3
PubChem CID
96569
DTXSID
DTXSID60184936
UNII
28JV2HVZ56
EC Number
623-801-2
Nikkaji
J336.924B

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
45.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
130 · 130-134 °C (lit.)
Boiling point
306.2 · 306.2±27.0 °C(Predicted)
Density
1.902 · 1.902±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
form
solid
Appearance
Off-white to light brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
hs_code
29349990
risk_code
36/37/38-42/43
Signal word
Danger
Symbol(GHS)
GHS07,GHS08

Chemistry & industry

Applications

UsesIt is used to produce other chemicals. For example, it can react with 5-Ethyl-4-methyl-thiazole to get 2-Acetyl-5-(5-ethyl-4-methyl-2-thiazolyl)thiophene in the presence of solvent acetonitrile and other condition of heating for 4 hours.

Upstream & downstream products

Suppliers47 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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