CAS 5650-51-1 4H,5H,6H-cyclopenta[b]thiophen-4-one (HCID 1958632)

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Basic information

CAS: 5650-51-1
Standard SMILES: O=C1CCc2sccc21
InChIKey: KOBLGOHFGYWCRC-UHFFFAOYSA-N
Molecular formula: C7H6OS
Average molar mass: 138.19 g/mol
Monoisotopic mass: 138.01393598

Names & identifiers

Preferred name: 4H,5H,6H-cyclopenta[b]thiophen-4-one
IUPAC: 5,6-dihydrocyclopenta[b]thiophen-4-one
English name: AKOS BB-9698
Molecular formula: C7H6OS
Molecular weight: 138.19

Names & synonyms

4H,5H,6H-cyclopenta[b]thiophen-4-one4H,5H,6H-cyclopenta(b)thiophen-4-oneRefChem:527210823-209-65650-51-15,6-dihydro-4H-cyclopenta[b]thiophen-4-one5,6-dihydrocyclopenta[b]thiophen-4-one5,6-dihydro-cyclopenta[b]thiophen-4-oneMFCD00757271AKOS BB-96985,6-Dihydrocyclopenta(b)thiophen-4-one4H-Cyclopenta[b]thiophen-4-one, 5,6-dihydro-

Show more names

5,6-Dihydro-4H-cyclopenta[b]thiophen-4-one, 97+%

SCHEMBL1747122DTXSID90365716KOBLGOHFGYWCRC-UHFFFAOYSA-NFAA65051AKOS003606949SB376955,6-dihydrocyclopenta[b]thiophene-4-one5,6-Dihydrocyclopenta(b )thiophen-4-one

Database identifiers

CAS: 5650-51-1
PubChem CID: 1958632
DTXSID: DTXSID90365716
EC Number: 823-209-6
Nikkaji: J716.250B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 144

Physicochemical properties

Melting point: 115 · 115-117℃
Boiling point: 240 ℃ · 240℃
Density: 1.322 · 1.322
Flash point: 99 ℃ · 99℃
storage temp.: 2 · 2-8°C(protect from light)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

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)

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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330