Indole-2-carboxaldehyde

HCID 96389
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Basic information

CAS
19005-93-7
Standard SMILES
O=Cc1cc2ccccc2[nH]1
InChIKey
SBNOTUDDIXOFSN-UHFFFAOYSA-N
Molecular formula
C9H7NO
Average molar mass
145.16 g/mol
Monoisotopic mass
145.05276384

Names & identifiers

Preferred name
Indole-2-carboxaldehyde
IUPAC
1H-indole-2-carbaldehyde
English name
Indole-2-carboxaldehyde
Molecular formula
C9H7NO
Molecular weight
145.16

Names & synonyms

Indole-2-carboxaldehyde1H-Indole-2-carboxaldehydeindole-2-carbaldehyde2-FORMYLINDOLER5N9CD7DLMUNII-R5N9CD7DLMNSC 71792NSC-71792DTXSID50172468RefChem:148190DTXCID9094959626-833-5
Show more names
2-Formyl-1H-indoleIndole-2-formaldehyde2-indolecarboxaldehyde1H-Indol-2-carbaldehydeIndole-2-carboxaldehyde>
SBNOTUDDIXOFSN-UHFFFAOYSA-N1H-Indole-2-carbaldehyde19005-93-7MFCD03001425457899-31-9CHEMBL223708(E)-(2H-Indol-2-ylidene)methanol(Z)-(2H-Indol-2-ylidene)methanol

Database identifiers

CAS
19005-93-7
PubChem CID
96389
DTXSID
DTXSID50172468
ChEMBL
CHEMBL223708
UNII
R5N9CD7DLM
EC Number
626-833-5
Nikkaji
J1.035.660A

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
32.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
138 · 138-142 °C
Boiling point
339.1 · 339.1±15.0 °C(Predicted)
Density
1.278 · 1.278±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in Methanol.
pka
15.05 · 15.05±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29339900
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesIndole-2-carboxaldehyde is a useful starter in indole and natural product chemistry.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

Related reactions

88 records
New reaction record

Compound notes

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