1H-Indole-6-carboxaldehyde

HCID 2773435CAS 1196-70-9
Substructure searchFind similar structures

Basic information

Standard SMILES
O=Cc1ccc2cc[nH]c2c1
InChIKey
VSPBWOAEHQDXRD-UHFFFAOYSA-N
Molecular formula
C9H7NO
Average molar mass
145.16 g/mol
Monoisotopic mass
145.05276384

Names & identifiers

Preferred name
1H-Indole-6-carboxaldehyde
IUPAC
1H-indole-6-carbaldehyde
English name
Indole-6-carboxaldehyde
Molecular formula
C9H7NO
Molecular weight
145.16

Names & synonyms

1h-indole-6-carboxaldehydeRefChem:438761626-403-71H-indole-6-carbaldehydeIndole-6-carboxaldehyde1196-70-96-FormylindoleMFCD02179596indole-6-carbaldehydeCHEMBL3358225indole-6-carboxalehyde6-formyl-indole
Show more names
1H-INDOLE-5-CARBALDEHYDE6-indolealdehydeINDOLE-5-ALDEHYDE6-Formyl-1H-indoleINDOLE-5-CARBALDEHYDE
6-Formyl indoleINDOLE-6-ALDEHYDE1-H-indole-6-carbaldehydeSCHEMBL97059SCHEMBL97060Indole-6-carboxaldehyde, 97%DTXSID00378458ALBB-004799

Database identifiers

CAS
1196-70-9
PubChem CID
2773435
DTXSID
DTXSID00378458
ChEMBL
CHEMBL3358225
EC Number
626-403-7
Nikkaji
J1.116.678D

Properties

Computed structural properties

XLogP
2.1
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
127 · 127-131 °C(lit.)
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
Chloroform, Dichloromethane
pka
15.84 · 15.84±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (95.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (95.5%)

Safety data

wgk
3
hs_code
29339980
risk_code
36-43
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 2 items

UsesReactant in preparation of analogs of botulinum neurotoxin serotype A protease inhibitors 1 Reactant in synthesis of stilbene-based antitumor agents 2 Reactant in acid-catalyzed preparation of aromatic gem-dihalides from aldehydes and acid halides.

UsesIndole-6-carboxaldehyde (cas# 1196-70-9) is a compound useful in organic synthesis.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

62 records
New reaction record

Linked notes

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1H-Indole-6-carboxaldehyde (HCID 2773435)｜Huagongshe