7-Fluoro-1H-indole (HCID 2774504)

Names & identifiers

Preferred name: 7-Fluoro-1H-indole
IUPAC: 7-fluoro-1H-indole
English name: 7-Fluoroindole
Molecular formula: C8H6FN
Molecular weight: 135.14

Names & synonyms

7-fluoro-1H-indole387-44-0RefChem:546399640-248-27-fluoroindoleMFCD01074502C8H6FNSCHEMBL446638CHEMBL6147011DTXSID60379062CS-W007613PS-9128

Show more names

uoro-1H-indoL7-Flouroindole7-ETHOXYINDOLE7-Fluoroindole>BUTTPARK 24\07-357-Fluoroindole,97%7-Fluoroindole,98%1H-Indole, 7-fluoro-

F05557-fluoro-indole7-fluoranyl-1H-indole7-Fluoroindoline-2-oneAMY3673A6536FT-0621412A824264

Database identifiers

CAS: 387-44-0
PubChem CID: 2774504
DTXSID: DTXSID60379062
ChEMBL: CHEMBL6147011
EC Number: 640-248-2
Nikkaji: J380.938B

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 61 °C · 61 °C
Boiling point: 258 · 258.0±13.0 °C(Predicted)
Density: 1.273 · 1.273±0.06 g/cm3(Predicted)
Flash point: 110 ° · >110°
storage temp.: 2 · 2-8°C
solubility: Soluble in methanol. (almost transparency)
pka: 15.55 · 15.55±0.30(Predicted)
form: powder to crystal
color: White to Light yellow to Light orange
BRN: 114740 · 114740
InChI: InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey: XONKJZDHGCMRRF-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2F)C=C1
CAS DataBase Reference: 387 · 387-44-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-37/38-22
Safety Statements: 26 · 26-36-39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (61.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (61.9%)

Safety data

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-41-37/38-22
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302-H315-H318-H335
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P280-P301+P312+P330-P302+P352-P305+P351+P338+P310

Chemistry & industry

Applications · 1 item

Uses7-Fluoroindole is a reagent used in chemical synthesis. It has been used to synthesize antiviral compounds against Pseudomonas aeruginosa and Staphylococcus aureus along with creation of immunomodulators. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.