CAS 35134-07-7 3-Methoxythiophene-2-carbaldehyde (HCID 588315)

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Basic information

CAS: 35134-07-7
Standard SMILES: COc1ccsc1C=O
InChIKey: KGJDTMQUUPIAEF-UHFFFAOYSA-N
Molecular formula: C6H6O2S
Average molar mass: 142.18 g/mol
Monoisotopic mass: 142.00885043

Names & identifiers

Preferred name: 3-Methoxythiophene-2-carbaldehyde
IUPAC: 3-methoxythiophene-2-carbaldehyde
English name: 3-Methoxythiophene-2-carbaldehyde
Molecular formula: C6H6O2S
Molecular weight: 142.18

Names & synonyms

3-methoxythiophene-2-carbaldehyde35134-07-7DTXSID60343223RefChem:280543DTXCID20294303816-222-33-Methoxythiophene-2-carboxaldehyde2-Thiophenecarboxaldehyde, 3-methoxy-3-methoxy-2-thiophenecarboxaldehydeMFCD01571098SCHEMBL3421374AI-942/42301781

Show more names

OLIC-008EOS-61858Foscarbidopa Impurity 292-Formyl-3-methoxythiophene2-Thiophenecarboxaldehyde,3-methoxy-3-Methoxythiophene-2-carboxaldehyde,97%2-Formyl-3-methoxythiophene, 3-Methoxy-2-thenaldehyde

GEO-01731Thiophene-2-carboxaldehyde, 3-methoxy-CS-0034119EN300-1100803-Methoxy-2-thiophenecarbaldehydeFT-07674073-methoxy-2-thiophenealdehydeSCHEMBL3245092

Database identifiers

CAS: 35134-07-7
PubChem CID: 588315
DTXSID: DTXSID60343223
EC Number: 816-222-3
Nikkaji: J1.396.908F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 84 ℃ · 84℃
Boiling point: 255.8 · 255.8±20.0 °C(Predicted)
Density: 1.24 · 1.240±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Appearance: White to off-white Solid
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
InChI: InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChIKey: KGJDTMQUUPIAEF-UHFFFAOYSA-N
SMILES: C1(C=O)SC=CC=1OC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HS Code: 2934999090 · 2934999090

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.