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6-Fluoroindole(CAS No. 399-51-9)

6-Fluoroindole C8H6FN (cas 399-51-9) Molecular Structure

399-51-9 Structure

Identification and Related Records

【Name】
6-Fluoroindole
【Iupac name】
6-fluoro-1H-indole
【CAS Registry number】
399-51-9
【Synonyms】
1H-indole, 6-fluoro-
6-fluoro-1H-indole
【EINECS(EC#)】
206-917-4
【Molecular Formula】
C8H6FN (Products with the same molecular formula)
【Molecular Weight】
135.14
【Inchi】
InChI=1/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
【Canonical SMILES】
C1=CC(=CC2=C1C=CN2)F
【MOL File】
399-51-9.mol

Chemical and Physical Properties

【Appearance】
Beige-brown crystalline powder
【Density】
1.273 g/cm3
【Melting Point】
72-77℃
【Boiling Point】
258 oC at 760 mmHg
【Refractive Index】
1.646
【Flash Point】
109.9 oC
【Water】
insoluble
【Solubilities】
insoluble
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:135.138343 [g/mol]
Molecular Formula:C8H6FN
XLogP3:2.7
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:135.048427
MonoIsotopic Mass:135.048427
Topological Polar Surface Area:15.8
Heavy Atom Count:10
Formal Charge:0
Complexity:126
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Safety Information of 6-Fluoroindole (CAS No.399-51-9):
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
F: 10
Hazard Note: Irritant
HazardClass: IRRITANT

【Sensitive】
Light Sensitive
【Specification】

?? 6-Fluoroindole (CAS No.399-51-9), it also can be called 6-Fluoro-1H-indole ; 1H-Indole, 6-fluoro- .

Supplier Location

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