CAS No.463-04-7,Pentyl nitrite Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	463-04-7
Name:	Pentyl nitrite
Article Data:	13

Formula:	C₅H₁₁NO₂
Molecular Weight:	117.148
Synonyms:	AI3-25184;Amyl nitrite;BRN 1701241;CCRIS 763;Nitramyl;Pentyl alcohol, nitrite;n-Amyl nitrite;
EINECS:	207-332-7
Density:	0.97 g/cm³
Boiling Point:	105.1 °C at 760 mmHg
Flash Point:	8.9 °C
Solubility:	Slightly soluble in water, miscible with ethanol, ether
Appearance:	Colorless to yellowish liquid
Hazard Symbols:	F,Xn
Risk Codes:	11-20/22
Safety:	16-24-45
PSA:	38.66000
LogP:	1.87460

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Pentyl nitrite with CAS registry number of 463-04-7 is also known as Nitrousacid, pentyl ester. The IUPAC name and product name are the same. Its EINECS registry number is 207-332-7. In addition, the formula is C₅H₁₁NO₂ and the molecular weight is 117.15. This chemical is a colorless to yellowish liquid and should be sealed in ventilated and dry place away from oxidants.

Physical properties about Pentyl nitrite are: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.34; (5)ACD/BCF (pH 7.4): 59.34; (6)ACD/KOC (pH 5.5): 647.07; (7)ACD/KOC (pH 7.4): 647.07; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.424; (11)Molar Refractivity: 30.69 cm³; (12)Molar Volume: 120.2 cm³; (13)Surface Tension: 31.2 dyne/cm; (14)Density: 0.97 g/cm³; (15)Flash Point: 8.9 °C; (16)Enthalpy of Vaporization: 32.98 kJ/mol; (17)Boiling Point: 105.1 °C at 760 mmHg; (18)Vapour Pressure: 34.9 mmHg at 25 °C.

Preparation of Pentyl nitrite: it is prepared by reaction of pentanol and sodium nitrite. The reaction needs solvent hydrochloric acid and the product is obtained by washing, drying and vacuum distillation.

Uses of Pentyl nitrite: it is used to produce pentanal. The reaction occurs with reagent BF₃*Et₂O and solvent diethyl ether with ambient temperature for 4 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation and if swallowed. During using it, keep away from sources of ignition as this chemical is highly flammable. Avoid contact with skin. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCON=O
2. InChI: InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3
3. InChIKey: CSDTZUBPSYWZDX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	subcutaneous	30gm/kg (30000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	"Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933Vol. -, Pg. -, 1933.