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1H-Indole
[CAS# 4940-66-3]

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Identification
Name 1H-Indole
Synonyms 1-Azaindene
Molecular Structure CAS#: 4940-66-3, 1H-Indole
Molecular Formula C8H7N
Molecular Weight 117.15
CAS Registry Number 4940-66-3
SMILES C1=CC=C2C(=C1)C=CN2
InChI 1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey SIKJAQJRHWYJAI-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
1.22 (Expl.)
Melting point 53°C (Expl.)
Boiling point 253.0±9.0°C at 760 mmHg (Cal.)
254°C (Expl.)
Flash point 107.8±11.3°C (Cal.)
121°C (Expl.)
Safety Data
Safety Code S26;S36/37/39;S57;S60  Details
Risk Code R21/22;R41;R50  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN2811
Safety Description R20/22,R24,R36/37/38,R50/53
WARNING: Harmful through skin absorbtion or ingestion.
Toxic/Harmful/Irritant/Air Sensitive/Light Sensitive/Stench/Keep Cold/Store under Argon
Safety glasses. Adequate ventilation.
S13,S22,S24/25,S26,S36/37/39,S45,S60,S61
IRRITANT
DANGER: POISON, irritates skin, eyes, lungs
References
(1) Nikola Basarić, Alfredo Franco-Cea, Marija Alešković, Kata Mlinarić-Majerski and Peter Wan. Photochemical deuterium exchange in phenyl-substituted pyrroles and indoles in CDCN–DO, Photochem. Photobiol. Sci., 2010, 9, 779.
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