[2,2'-Bithiophene]-5-carboxaldehyde (HCID 364428)

Names & identifiers

Preferred name: [2,2'-Bithiophene]-5-carboxaldehyde
IUPAC: 5-thiophen-2-ylthiophene-2-carbaldehyde
English name: 2,2'-BITHIOPHENE-5-CARBOXALDEHYDE
Molecular formula: C9H6OS2
Molecular weight: 194.27

Names & synonyms

3779-27-9[2,2'-Bithiophene]-5-carboxaldehyde(2,2'-Bithiophene)-5-carboxaldehydeDTXSID70191237RefChem:68497DTXCID801137282,2'-Bithiophene-5-carboxaldehyde2,2'-bithiophene-5-carbaldehyde[2,2'-Bithiophene]-5-carbaldehyde2,2-Bithiophene-5-carboxaldehyde2,2'-Bithienyl-5-carboxaldehyde5-thiophen-2-ylthiophene-2-carbaldehyde

Show more names

S1180AKOS BAR-0540BUTTPARK 29\08-48TIMTEC-BB SBB003601SALOR-INT L158844-1EA2,2'-Bithiophene-5-carboxaldehy2,2-dithiophene-5-methylaldehyde

5-Formyl-2,2'-bithiopheneMFCD00052294C9H6OS25-(2-thienyl)thiophene-2-carbaldehyde5-(thiophen-2-yl)thiophene-2-carbaldehydeNSC630688MLS002702914CHEMBL314090

Database identifiers

CAS: 3779-27-9
PubChem CID: 364428
DTXSID: DTXSID70191237
ChEMBL: CHEMBL314090
EC Number: 813-826-9
Nikkaji: J622.648E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 73.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 55 · 55-58 °C(lit.)
Boiling point: 210 °C · 210 °C / 18mmHg
Density: 1.424 g/cm3 · 1.424 g/cm3
Flash point: 230 °F · >230 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: powder to crystal
color: White to Amber to Dark green
InChI: InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey: FYBWRAXKYXTOQC-UHFFFAOYSA-N
SMILES: C1(C2SC=CC=2)SC(C=O)=CC=1
CAS DataBase Reference: 3779 · 3779-27-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29349990 · 29349990
Storage Class: 13 · 13 - Non Combustible Solids

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. 2 (100%)；STOT SE 3 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications · 1 item

Uses2,2′-Bithiophene-5-carboxaldehyde may be used in the synthesis of the following:boron dipyrromethene(BODIPY)oligothiophenes via a multi-step reaction process(2,2′-bithiophene-5-carbaldehyde)-4-nitrophenylhydrazone(BT-NPH) via reaction with 4-nitrophenylhydrazinebithiophene fulleropyrrolidine obtained via refluxing with sarcosine and fullereneazomethine phthalic diimides by heating with N,N-bis(4-amino-2,3,5,6-tetramethylphenyl)naphthalene-1,4,5,8-dicarboximide (DANDI)