7-Fluoro-2,3-dihydro-1H-indole

HCID 16768261CAS 769966-04-3

Substructure search Find similar structures

Basic information

Standard SMILES: Fc1cccc2c1NCC2
InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N
Molecular formula: C8H8FN
Average molar mass: 137.15 g/mol
Monoisotopic mass: 137.06407742

Names & identifiers

Preferred name: 7-Fluoro-2,3-dihydro-1H-indole
IUPAC: 7-fluoro-2,3-dihydro-1H-indole
English name: 7-Fluoroindoline
Molecular formula: C8H8FN
Molecular weight: 137.15

Names & synonyms

769966-04-37-fluoro-2,3-dihydro-1H-indoleDTXSID60588036RefChem:310765DTXCID70538800822-490-27-FluoroindolineMFCD090418251H-INDOLE,7-FLUORO-2,3-DIHYDRO-1H-Indole, 7-fluoro-2,3-dihydro-SCHEMBL515124SCHEMBL5543201

Show more names

7-Fluoroindoline in stock Factory

AKOS BBV-003106TQP1219AGJTUVBSTFSZFY-UHFFFAOYSA-NOTAVA-BB 1118853AKOS002433798SB386727-Fluoroindoline in stock FactoryAC-27815

Database identifiers

CAS: 769966-04-3
PubChem CID: 16768261
DTXSID: DTXSID60588036
EC Number: 822-490-2

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Boiling point: 216.3 · 216.3±29.0 °C(Predicted)
Density: 1.154 · 1.154±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
pka: 3.9 · 3.90±0.20(Predicted)
Appearance: Colorless to pink Liquid
InChI: InChI=1S/C8H8FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2F)CC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 9999999999 · 9999999999

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 9999999999
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501