1-Methyl-1H-indazole-3-carboxaldehyde

HCID 7164545CAS 4002-83-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nc(C=O)c2ccccc21
InChIKey
KYDLGYCLCFKUHY-UHFFFAOYSA-N
Molecular formula
C9H8N2O
Average molar mass
160.17 g/mol
Monoisotopic mass
160.06366288

Names & identifiers

Preferred name
1-Methyl-1H-indazole-3-carboxaldehyde
IUPAC
1-methylindazole-3-carbaldehyde
English name
1-Methyl-1H-indazole-3-carbaldehyde
Molecular formula
C9H8N2O
Molecular weight
160.17

Names & synonyms

4002-83-91-Methyl-1H-indazole-3-carboxaldehydeRefChem:433847640-823-81-methyl-1H-indazole-3-carbaldehyde1-methylindazole-3-carbaldehydeMFCD080604781-methyl-3-formylindazoleSCHEMBL465585DTXSID00428164AKOS0062209204-Iodoimidazole(IIMD)
Show more names
3-Formyl-1-methyl-1H-indazole1-Methyl-1H-indazol-3-carbaldehyde1H-Indazole-3-carboxaldehyde, 1-methyl-1-Methyl-1H-indazole-3-carboxaldehyde97%1-Methyl-1H-indazole-3-carboxaldehyde 97%
SCHEMBL465584SCHEMBL29561158EAA00283SBB087435CS-W021348PB10491PS-4952SY097414

Database identifiers

CAS
4002-83-9
PubChem CID
7164545
DTXSID
DTXSID00428164
EC Number
640-823-8

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
34.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
61 °C · 61 °C
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
Light yellow to yellow Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

hs_code
2933998090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn
Hazard statements
H315-H319-H335

Chemistry & industry

Upstream & downstream products

Suppliers45 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

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