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Product No: AA8488

Isopentyl nitrite, 90%

Name: Isopentyl nitrite
Brand: Chempure

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CAS Number

110-46-3

Molecular Weight

117.15

Formula

C5H11NO2

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About this item

IUPAC name	3-methylbutyl nitrite
canonical smiles	CC(C)CCON=O
inchi	InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
inchi key	OWFXIOWLTKNBAP-UHFFFAOYSA-N
molecular formula	C5H11NO2
synonyms	ISOAMYL NITRITE Isopentyl nitrite 110-46-3 3-Methylbutyl nitrite Vaporole
Compound Description	Isoamyl nitrite is a clear yellow liquid. Isoamyl nitrite is a nitrite ester having isopentyl as the alkyl group. It has a role as a vasodilator agent and an antihypertensive agent. It is functionally related to an isoamylol. See also: ... View More ...

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	117.078978594 g/mol
Monoisotopic Mass:	117.078978594 g/mol
Topological Polar Surface Area:	38.7 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	63.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

1-Butanethiol

Isoamyl acetate

Isobutyl acetate

Soman

Sarin

trans-2-Pentene

2,4,4-Trimethyl-1-pentene

Isopentyl formate

Amyl Nitrite

Ethyl isovalerate

Isobutyl nitrite

N-butyl Chloride

1-Pentanethiol

1,3-Pentadiene

Pivaloyl chloride

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Acute Tox. 4 (100%) Skin Corr. 1 (12.33%) Skin Sens. 1 (12.33%) Eye Dam. 1 (12.33%) Acute Tox. 4 (93.15%) Muta. 2 (12.33%) Flammable liquid - category 2 Acute toxicity - category 4 Flammable liquids - Category 2 Acute toxicity (Inhalation: Vapours) - Category 3 Specific target organ toxicity - Single exposure - Category 1 (cardiovascular system, blood system, nervous system) Flam. Liq. 2 Acute Tox. 4 *
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (12.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (12.33%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (12.33%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (93.15%): Harmful if inhaled [Warning Acute toxicity, inhalation] H341 (12.33%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

symptoms

Inhalation Symptoms: Blue lips, fingernails and skin. Confusion. Convulsions. Dizziness. Headache. Sweating. Nausea. Unconsciousness. Vomiting. Flushing of the face. Symptoms may be delayed. Skin Symptoms: MAY BE ABSORBED! Ingestion Symptoms: See Inhalation.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3-methylbutyl nitrite
canonical smiles	CC(C)CCON=O
inchi	InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
inchi key	OWFXIOWLTKNBAP-UHFFFAOYSA-N
molecular formula	C5H11NO2
synonyms	ISOAMYL NITRITE Isopentyl nitrite 110-46-3 3-Methylbutyl nitrite Vaporole
Compound Description	Isoamyl nitrite is a clear yellow liquid. Isoamyl nitrite is a nitrite ester having isopentyl as the alkyl group. It has a role as a vasodilator agent and an antihypertensive agent. It is functionally related to an isoamylol. See also: ... View More ...

Computed Properties

Molecular Weight:	117.15 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	117.078978594 g/mol
Monoisotopic Mass:	117.078978594 g/mol
Topological Polar Surface Area:	38.7 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	63.4
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

1-Butanethiol

Isoamyl acetate

Isobutyl acetate

Soman

Sarin

trans-2-Pentene

2,4,4-Trimethyl-1-pentene

Isopentyl formate

Amyl Nitrite

Ethyl isovalerate

Isobutyl nitrite

N-butyl Chloride

1-Pentanethiol

1,3-Pentadiene

Pivaloyl chloride

hazard signal	Danger
hazard classes and categories	Flam. Liq. 2 (100%) Acute Tox. 4 (100%) Skin Corr. 1 (12.33%) Skin Sens. 1 (12.33%) Eye Dam. 1 (12.33%) Acute Tox. 4 (93.15%) Muta. 2 (12.33%) Flammable liquid - category 2 Acute toxicity - category 4 Flammable liquids - Category 2 Acute toxicity (Inhalation: Vapours) - Category 3 Specific target organ toxicity - Single exposure - Category 1 (cardiovascular system, blood system, nervous system) Flam. Liq. 2 Acute Tox. 4 *
precautionary statement codes	P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501
hazard statements	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (12.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (12.33%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (12.33%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (93.15%): Harmful if inhaled [Warning Acute toxicity, inhalation] H341 (12.33%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]

symptoms

Product No: AA8488

Isopentyl nitrite, 90%

Product No: AA8488

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA8488

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

TOXICITY

Require a Sample Certificate of Analysis (COA) ?