Basic information
- CAS
3751-76-6- Standard SMILES
Cc1cccc2cc(C=O)sc12- InChIKey
MLLVSGDRQOXPNS-UHFFFAOYSA-N- Molecular formula
- C10H8OS
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.02958605
Names & identifiers
- Preferred name
- Benzo(b)thiophene-2-carboxaldehyde, 7-methyl-
- IUPAC
- 7-methyl-1-benzothiophene-2-carbaldehyde
- English name
- Benzo[b]thiophene-2-carboxaldehyde, 7-methyl-
- Molecular formula
- C10H8OS
- Molecular weight
- 176.23
Names & synonyms
3751-76-6Benzo(b)thiophene-2-carboxaldehyde, 7-methyl-DTXSID20190957RefChem:326200DTXCID601134487-methylbenzo[b]thiophene-2-carbaldehyde7-Methyl-1-benzothiophene-2-carbaldehydeBenzo[b]thiophene-2-carboxaldehyde, 7-methyl-,SCHEMBL13195264MLLVSGDRQOXPNS-UHFFFAOYSA-NMFCD220315367-Methyl-1-benzothiophene-2-carbaldehyde #
Show more names
Benzo[b]thiophene-2-carboxaldehyde, 7-methyl-
Database identifiers
- CAS
3751-76-6- PubChem CID
- 138043
- DTXSID
DTXSID20190957- EC Number
- 179-257-7
- Nikkaji
- J1.426.627E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 46 °C · 46 °C
- Boiling point
- 130 · 130-132 °C(Press: 7 Torr)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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