5-fluoro-1H-indole-3-carbaldehyde

5-FLUORO-1H-INDOLE-3-CARBALDEHYDE · 120351 · AKOS JY2083653 · TIMTEC-BB SBB002930 · 5-Fluoro-3-formylindole · 5-FLUOROINDOLE-3-ALDEHYDE · 5-Fluoro-3-formyl-1H-indole · 5-FLUOROINDOLE-3-CARBALDEHYDE

https://huagongshe.com/en/chemical/259089

5-fluoro-1H-indole-3-carbaldehyde molecular structure

Identifiers & Physical Properties

CAS No.	2338-71-8
Molecular formula	C9H6FNO
Average molar mass	163.15 g/mol
Monoisotopic mass	163.04334203 g/mol
SMILES	O=Cc1c[nH]c2ccc(F)cc12
InChIKey	YUAJKGBLPVLADK-UHFFFAOYSA-N
PubChem CID	259089
EC No.	622-412-5
DTXSID	DTXSID10293320

Chemical & Physical Properties

XLogP	1.8
Topological polar surface area	32.9
Hydrogen bond donors	1
Hydrogen bond acceptors	2
Rotatable bonds	1
Heavy atoms	12
Formal charge	0
Complexity	185
Melting point	164°C
Boiling point	342.4±22.0 °C(Predicted)
Density	1.385±0.06 g/cm3(Predicted)
Storage conditions	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Physical state	crystalline
pKa (acidity coefficient)	14.66±0.30(Predicted)
Color	yellow to green
Sensitivity	Air Sensitive
BRN	1449216
InChI	1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChIKey	YUAJKGBLPVLADK-UHFFFAOYSA-N
SMILES	Fc1ccc2[nH]cc(C=O)c2c1
CAS DataBase Reference	2338-71-8(CAS DataBase Reference)
UNSPSC Code	12352108
NACRES	NA.32
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338
Target organs	Respiratory system
Personal protective equipment (PPE)	dust mask type N95 (US), Eyeshields, Gloves
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36
Water hazard class (WGK)	3
Hazard class	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Customs code	29339900
Storage class	11 - Combustible Solids

Safety & Regulations

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Personal protective equipment (PPE)	dust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK)	3
Customs code	29339900
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Safety statements (S)	26-36
Hazard class	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Storage class	11 - Combustible Solids
Target organs	Respiratory system
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P264-P271-P280-P302+P352-P305+P351+P338

Applications & Uses

Uses

5-Fluoroindole-3-carboxaldehyde is used as a reagent in the synthetic preparation of compounds requiring an indole group or more specifically a fluoroindole group.