CAS No.625-28-5,3-Methylbutanenitrile Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	625-28-5
Name:	3-Methylbutanenitrile
Article Data:	89

Formula:	C5H9 N
Molecular Weight:	83.1332
Synonyms:	Isovaleronitrile(6CI,7CI,8CI); 1-Cyano-2-methylpropane; 3-Methylbutanenitrile;3-Methylbutyronitrile; Isobutyl cyanide; Isopentane nitrile; NSC 148363
EINECS:	210-884-1
Density:	0.795
Melting Point:	-100.8°C
Boiling Point:	128-130 ºC (730 mmHg)
Flash Point:	83 ºF
Hazard Symbols:
Risk Codes:	R10;R22;R36/37/38
Safety:	A poison by ingestion and parenteral routes. When heated to decomposition it emits toxic fumes of NO_x and CN⁻. See also NITRILES.
Transport Information:	UN 1992
PSA:	23.79000
LogP:	1.55608

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Chemistry

CAS: 625-28-5
EINECS: 210-884-1
Product Categories: C1 to C5 ; Cyanides/Nitriles ; Nitrogen Compounds .
Following is the Molecular Structure of Isovaleronitrile (625-28-5):

SMILES: N#CCC(C)C
InChI: InChI=1/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
InChIKey: QHDRKFYEGYYIIK-UHFFFAOYAJ
Std.InChI: InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
Std.InChIKey: QHDRKFYEGYYIIK-UHFFFAOYSA-N
Molecular Formula: C₅H₉N
Molecular Weight: 83.13
Boiling Point: 127.3℃ at 760mmHg
Flash Point: 28.3℃
Molar Volume: 104.8cm³
Density: 0.793g/cm³
Index of Refraction: 1.394
Molar Refractivity: 25.08cm³
Surface Tension: 26dyne/cm
Polarizability: 9.94 10^-24cm³
Enthalpy of Vaporization: 35.1kJ/mol
Vapour Pressure: 11.2mmHg at 25℃

Uses

Isovaleronitrile (625-28-5) can be used as laboratory reagents and intermediates.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
frog	LDLo	subcutaneous	3800mg/kg (3800mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.
mouse	LD50	oral	233mg/kg (233mg/kg)		Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 39, Pg. 423, 1984.
mouse	LDLo	parenteral	400mg/kg (400mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 690, 1955.
rabbit	LDLo	subcutaneous	43400ug/kg (43.4mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 5, Pg. 161, 1899.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: Xn Harmful.
Risk Statements: 10-22-36/37/38
R10: Flammable.
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1992 3/PG 3
WGK: Germany 3
RTECS: NY1750000
HazardClass: 3.2
PackingGroup: III
A poison by ingestion and parenteral routes.

Specification

Isovaleronitrile (625-28-5),which also can be called for 2-Methylbutane secondary mononitrile ; 2-Methylbutanesecondarymononitrile ; 3-Methyl-butanenitril ; 3-Methyl-butyronitril ; 3-Methylbutyronitrile ; 3-Methyl-butyronitrile ; Butanenitrile,3-methyl- ; Butyronitrile, 2-methyl- .When Isovaleronitrile (625-28-5) was heated,it emits toxic fumes of NOx and CN− .Be attention of this chemical is toxic and it's soluble in water.It's stable at normal temperatures and pressures but incompatible with strong oxidizing agents.