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tert-Butyl nitrite

tert-Butyl nitrite structure

CAS No:
540-80-7
Formula:
C4H9NO2
Chemical Name:
tert-Butyl nitrite
Synonyms:
Nitrous acid,1,1-dimethylethyl ester;Nitrous acid,tert-butyl ester;tert-Butyl nitrite;α,α-Dimethylethyl nitrite;1,1-Dimethylethyl nitrite
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear yellow liquid

tert-Butyl nitrite Basic Attributes

Molecular Weight：

103.121

Exact Mass：

103.12

EC Number：

208-757-0

UNII：

4780H7U8LU

DSSTox ID：

DTXSID10202316

HScode：

2920909090

Characteristics

PSA：

38.7

XLogP3：

1.74

Appearance：

clear yellow liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

63 °C

Flash Point：

-21.4±13.2 °C

Refractive Index：

1.402

Water Solubility：

H2O: slightly soluble

Storage Conditions：

2-8ºC

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2351 3/PG 2

wgk germany：

hazard class code：

R11;R20/22

safety instructions：

S16-S24-S46

RTECS Number：

RA0802000

Marks：

F:Flammable

Precautionary statement(s)：

P210

Hazard Statements：

H225-H302 + H332

GHS Classification：

|Danger|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P303+P361+P353, P304+P312, P304+P340, P312, P330, P370+P378, P403+P235, and P501|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|Aggregated GHS information provided by 108 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P303+P361+P353, P304+P312, P304+P340, P307+P311, P312, P321, P330, P370+P378, P403+P235, P405, and P501

tert-Butyl nitrite Use and Manufacturing

Jet propellant.

Computed Properties

Molecular Weight:103.12
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:103.063328530
Monoisotopic Mass:103.063328530
Topological Polar Surface Area:38.7
Heavy Atom Count:7
Complexity:64.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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