CAS No.17380-18-6,5-CYANOINDOLE-3-CARBOXALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	17380-18-6
Name:	5-CYANOINDOLE-3-CARBOXALDEHYDE
Article Data:	30

Formula:	C₁₀H₅N₂O
Molecular Weight:	170.17
Synonyms:	Indole-5-carbonitrile,3-formyl- (8CI);3-Formyl-1H-indole-5-carbonitrile;3-Formyl-5-cyano-1H-indole;5-Cyanoindole-3-carboxaldehyde;
Density:	1.337 g/cm³
Melting Point:	248-253 °C
Boiling Point:	429.565 °C at 760 mmHg
Flash Point:	213.593 °C
Solubility:	Soluble in water. Soluble in acetone.
Appearance:	white to off-white crystalline powder
Hazard Symbols:	Xi,Xn
Risk Codes:	20/21/22-36/37/38-43
Safety:	26-36/37
PSA:	56.65000
LogP:	1.85208

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Chemistry

IUPAC Name: 3-formyl-1H-indole-5-carbonitrile
Synonyms of 1H-Indole-5-carbonitrile,3-formyl- (CAS NO.17380-18-6): 3-Formylindole-5-carbonitrile ; 5-22-06-00313 (Beilstein Handbook Reference) ; 5-Cyano-3-formyl indole ; BRN 0389069 ; Indole-5-carbonitrile, 3-formyl-
CAS NO: 17380-18-6
Molecular Formula of 1H-Indole-5-carbonitrile,3-formyl- (CAS NO.17380-18-6): C₁₀H₆N₂O
Molecular Weight: 170.1674
Molecular Structure:

H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 45.79 Å²
Index of Refraction: 1.674
Molar Refractivity: 47.77 cm³
Molar Volume: 127.2 cm³
Surface Tension: 68.7 dyne/cm
Density of 1H-Indole-5-carbonitrile,3-formyl- (CAS NO.17380-18-6): 1.33 g/cm³
Flash Point: 213.6 °C
Enthalpy of Vaporization: 68.49 kJ/mol
Boiling Point: 429.6 °C at 760 mmHg
Vapour Pressure: 1.39E-07 mmHg at 25°C

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	79mg/kg (79mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12038,

Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
Risk Statements: 20/21/22-36/37/38-43
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R43: May cause sensitization by skin contact.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
Hazard Note Irritant