1-Methyl-1H-indazole-4-carbaldehyde
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Basic information
- CAS
1053655-56-3- Standard SMILES
Cn1ncc2c(C=O)cccc21- InChIKey
SONWSIAHVBTXPB-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 1-Methyl-1H-indazole-4-carbaldehyde
- IUPAC
- 1-methylindazole-4-carbaldehyde
- English name
- 1-Methyl-1H-indazole-4-carbaldehyde
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
1-METHYL-1H-INDAZOLE-4-CARBALDEHYDE1053655-56-31-Methyl-1H-indazole-4-carboxaldehyde1-methylindazole-4-carbaldehydeMFCD106991674-Formyl-1-methyl-1H-indazoleSCHEMBL12217744SCHEMBL17868749DTXSID30653280AKOS005258495PB31498PS-4757
Show more names
1-methyl-4-indazolecarboxaldehyde1-Methyl-1H-indazol-4-carbaldehyde1H-Indazole-4-carboxaldehyde, 1-methyl-
SY128135DB-059336CS-0053908P10987F2369981-Methyl-1H-indazole-4-carboxaldehyde, AldrichCPR
Database identifiers
- CAS
1053655-56-3- PubChem CID
- 37818471
- DTXSID
DTXSID30653280- EC Number
- 640-559-3、802-667-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Crystalline Powder
- color
- Pale yellow
- InChI
- 1S/C9H8N2O/c1-11-9-4-2-3-7(6-12)8(9)5-10-11/h2-6H,1H3
- InChIKey
- SONWSIAHVBTXPB-UHFFFAOYSA-N
- SMILES
- Cn1ncc2c(C=O)cccc12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 29339980 · 29339980
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 29339980
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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