CAS No.120-72-9,Indole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	120-72-9
Name:	Indole
Article Data:	557
Cas Database

Formula:	C₈H₇N
Molecular Weight:	117.15
Synonyms:	2,3-Benzopyrrole;1-Benzo(b)pyrrole;1H-indole;1-Azaindene;Benzopyrrole;2, 3-Benzopyrrole;Indole 99%min;Indole perfume;Indole industrial;Indole Crystal;1-Benzazole;2,3-Benzopyrole;Ketole;Benzo[b]pyrrole;3-benzopyrrole; 1H-indole;
EINECS:	204-420-7
Density:	1.22 g/cm³
Melting Point:	51-54 °C(lit.)
Boiling Point:	253 °C at 760 mmHg
Flash Point:	107.839 °C
Solubility:	methanol: 0.1 g/mL, clear
Appearance:	white crystals with an unpleasant odour
Hazard Symbols:	Xn,N,T
Risk Codes:	21/22-37/38-41-50/53-36-39/23/24/25-23/24/25
Safety:	26-36/37/39-60-61-45-36/37
Transport Information:	UN 2811 6.1/PG 3
PSA:	15.79000
LogP:	2.16790

Synthetic route

: 13618-91-2
4,5,6,7-tetrahydroindole

: 120-72-9
indole

Conditions

Conditions	Yield
With hydrogen; palladium/alumina at 370℃;	100%
With hydrogen; palladium/alumina at 350 - 370℃; Product distribution; other palladium catalysts;	100%
With hydrogen sulfide; palladium/alumina In toluene at 350℃; for 0.5h;	100%

: 496-15-1
1-indoline

: 120-72-9
indole

Conditions

Conditions	Yield
tris(triphenylphosphine)ruthenium(II) chloride In toluene for 6h; Rate constant; Mechanism; Heating;	100%
With C21H32Cl4N2Ru In toluene for 6h; Reagent/catalyst; Heating;	100%
With tert.-butylhydroperoxide; iron(III) chloride; C42H40Cu2N8 In water; acetonitrile at 60℃; for 16h;	100%

: 15121-84-3
2-nitro-benzeneethanol

: 120-72-9
indole

Conditions

Conditions	Yield
Pd-C	100%
With C28H28ClNO2Ru; oxygen; potassium carbonate In isopropyl alcohol at 130℃; for 6h; Reagent/catalyst;	92%
With hydrogen In o-xylene under 760.051 Torr; for 12h; Reflux;	68%

: 5339-85-5
2-aminophenethyl alcohol

: 120-72-9
indole

Conditions

Conditions	Yield
	100%
	100%
With C21H28I3IrN6Pd; potassium hydroxide In toluene at 110℃; for 2h; Reagent/catalyst; Inert atmosphere; Schlenk technique;	99%

: 31271-90-6
1-(p-toluenesulfonyl)-1H-indole

: 120-72-9
indole

Conditions

Conditions	Yield
With methanol; magnesium for 0.333333h; sonication: 35 kHz, 120-240 W;	100%
With naphthalene; tetraethylammonium bromide In N,N-dimethyl-formamide at 0℃; Inert atmosphere; Electrolysis;	97%
With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Mechanism; Reagent/catalyst; Solvent; Inert atmosphere; Sealed tube; Irradiation;	96%

: 116548-00-6
N-<2-(Trimethylsilylethynyl)phenyl>methanesulfonamide

: 120-72-9
indole

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 3h; Heating;	100%

: 40899-71-6
1-benzenesulfonylindole

: 120-72-9
indole

Conditions

Conditions	Yield
With magnesium; lithium tert-butoxide In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents;	100%
With formic acid; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 24h; Inert atmosphere; Sealed tube; Irradiation;	91%
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 1h; Inert atmosphere; Darkness; Schlenk technique;	91%

: 42185-27-3
2-(cyanomethyl)cyclohexanone

: 7440-06-4
platinum

: 120-72-9
indole

Conditions

Conditions	Yield
With hydrogen	100%

: 1-(2,4,6-trimethyl-benzenesulfonyl)-1H-indole

: 120-72-9
indole

Conditions

Conditions	Yield
With titanium(IV) isopropylate; chloro-trimethyl-silane; magnesium In tetrahydrofuran at 50℃; for 12h; Inert atmosphere;	100%

: 70957-04-9
N-pivaloyl indole

: 120-72-9
indole

Conditions

Conditions	Yield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexanes at -78 - 45℃; for 2h; Inert atmosphere;	100%

Downstream Products

480-93-3

100-41-4

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Chemistry

Molecular Structure:

Molecular Formula: C₈H₇N
Molecular Weight: 117.1479
IUPAC Name: 1H-Indole
Synonyms of Indole (CAS NO.120-72-9): 1-Azaindene ; 1-Benzazole ; 1-Benzo(b)pyrrole ; 1H-Indole ; 2,3-Benzopyrole ; 2,3-Benzopyrrole ; AI3-01540 ; Benzopyrrole ; CCRIS 4421 ; Caswell No. 498B ; EINECS 204-420-7 ; EPA Pesticide Chemical Code 025000 ; FEMA No. 2593 ; HSDB 599 ; INDOLE ; Indol [German] ; Indole (natural) ; Ketole ; NSC 1964 ; UNII-8724FJW4M5
CAS NO: 120-72-9
Classification Code: Skin / Eye Irritant ; Tumor data
Density: 1.22g/cm³
Melting Point: 51-54^oC
Boiling Point: 253-254^oC
Flash Point: 136^oC
Solubility: 2.80 g/L (25^oC)
Appearance: white crystals with an unpleasant odour
Mol File: 120-72-9.mol
storage temp.: 2-8^oC
Sensitive: Light Sensitive
BRN:107693

History

Indole (CAS NO.120-72-9) can be used to produce isatin and oxindole. Oxindole was reduced to indole using zinc dust by Adolf von Baeyer In 1866. Then in 1869, Adolf von Baeyer give a formula for indole.Until the end of the 19th century,one kind of indole derivatives was important dyestuffs. Later, In the 1930s, people found that the indole nucleus is present in many important alkaloids. It plays an important role in today research work.

Uses

Indole (CAS NO.120-72-9) is used in Natural jasmine oil. Natural jasmine oil is used in the perfume industry which contains about 2.5% of indole. Besides,Indole is used in the manufacture of synthetic jasmine oil.

Production

Method of synthesis of Indole (CAS NO.120-72-9): Leimgruber-Batcho indole synthesis; Fischer indole synthesis; Bartoli indole synthesis; Bischler-M?hlau indole synthesis; Fukuyama indole synthesis; Gassman indole synthesis; Hemetsberger indole synthesis; Larock indole synthesis; Madelung synthesis; Nenitzescu indole synthesis; Reissert indole synthesis; Baeyer-Emmerling indole synthesis

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	117mg/kg (117mg/kg)	Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1620, 1974.
mouse	LD50	subcutaneous	225mg/kg (225mg/kg)	Klinische Wochenscrift. Vol. 35, Pg. 504, 1957.
mouse	LDLo	oral	1070mg/kg (1070mg/kg)	Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rabbit	LD50	skin	790mg/kg (790mg/kg)	American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	1gm/kg (1000mg/kg)	American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by intraperitoneal and subcutaneous routes. Moderately toxic by ingestion and skin contact. A severe eye irritant. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
Safty informations about Indole (CAS NO.120-72-9):
Hazard Codes: Xi,N Dangerous ,T Toxic
Risk Statements:21/22-37/38-41-50/53-36-39-23/24/25
R21/22: Harmful in contact with skin and if swallowed.
R37/38: Irritating to respiratory system and skin.
R41: Risk of serious damage to the eyes.
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36: Irritating to eyes.
R39: Danger of very serious irreversible effects.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements:26-36/37/39-60-61-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S60: This material and its container must be disposed of as hazardous waste.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 1
RIDADR: UN 2811 6.1/PG 3
RTECS: NL2450000
F: 8-13
HazardClass: 9
PackingGroup: III