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Isopropyl nitrite

Isopropyl nitrite structure

CAS No:
541-42-4
Formula:
C3H7NO2
Chemical Name:
Isopropyl nitrite
Synonyms:
Nitrous acid,1-methylethyl ester;Nitrous acid,isopropyl ester;Isopropyl nitrite
Categories:
Organic Chemistry > Inorganic Acid Esters

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Isopropyl nitrite Basic Attributes

Molecular Weight：

89.09

Exact Mass：

89.09

EC Number：

208-779-0

UNII：

2T3Y2PS0ZE

DSSTox ID：

DTXSID3052191

HScode：

2920909090

Characteristics

PSA：

38.7

XLogP3：

1.39

Appearance：

Gray yellow oily liquid

Density：

0.8684 g/cm³ @ Temp: 15 °C

Melting Point：

134-139 °C(lit.)

Boiling Point：

40 °C

Flash Point：

-37℃

Refractive Index：

1.405

Toxicity：

Inhalation-Rat LC50: 1250 mg/m3/ 4 hours

Flammability characteristics：

It is flammable in case of open flame, high temperature and oxidant; burning produces toxic nitrogen oxide fumes; meeting light produces toxic nitrogen oxide gas

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

1992

wgk germany：

hazard class code：

8-11-23/24/25-36/37/38

safety instructions：

17-26-36/37/39-45

Marks：

O,T

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P303+P361+P353, P307+P311, P321, P370+P378, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P281, P284, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P312, P320, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 50 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P303+P361+P353, P307+P311, P321, P370+P378, P403+P235, P405, and P501

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

alkyl nitrite

Isopropyl nitrite Use and Manufacturing

Uses

Used as fuel, industrially used as an intermediate in organic synthesis.

Manufacturing Info：

Nitrous acid, 1-methylethyl ester: ACTIVE

Computed Properties

Molecular Weight:89.09
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:89.047678466
Monoisotopic Mass:89.047678466
Topological Polar Surface Area:38.7
Heavy Atom Count:6
Complexity:44.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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