CAS 30446-99-2 2-Methyl-1-benzothiophene-3-carbaldehyde (HCID 3775467)

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Basic information

CAS: 30446-99-2
Standard SMILES: Cc1sc2ccccc2c1C=O
InChIKey: GDAUIGNXYBQHNU-UHFFFAOYSA-N
Molecular formula: C10H8OS
Average molar mass: 176.24 g/mol
Monoisotopic mass: 176.02958588

Names & identifiers

Preferred name: 2-Methyl-1-benzothiophene-3-carbaldehyde
IUPAC: 2-methyl-1-benzothiophene-3-carbaldehyde
English name: CHEMBRDG-BB 4012562
Molecular formula: C10H8OS
Molecular weight: 176.23

Names & synonyms

2-methyl-1-benzothiophene-3-carbaldehydeRefChem:474895959-318-130446-99-22-methylbenzo[b]thiophene-3-carbaldehydeMFCD01651753Benzo[b]thiophene-3-carboxaldehyde, 2-methyl-2-Methylbenzo[b]thiophene-3-carboxaldehydeCHEMBRDG-BB 4012562SCHEMBL1093585DTXSID10396264GDAUIGNXYBQHNU-UHFFFAOYSA-N

Show more names

2-methyl-1-benzothiophene-3-carbaldehyde(SALTDATA: FREE)

SBB089185AKOS006283719AS-46988DA-25811SY2394002-Methyl-benzo[b]thiophene-3-carbaldehydeCS-0072853EN300-185472

Database identifiers

CAS: 30446-99-2
PubChem CID: 3775467
DTXSID: DTXSID10396264
EC Number: 959-318-1
Nikkaji: J1.873.703E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 181

Physicochemical properties

Melting point: 97 · 97-98 °C(Solv: ethanol (64-17-5))
Boiling point: 318.9 · 318.9±22.0 °C(Predicted)
Density: 1.25 · 1.250±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
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.