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tert-Butyl isocyanide

tert-Butyl isocyanide structure

CAS No:
7188-38-7
Formula:
C5H9N
Chemical Name:
tert-Butyl isocyanide
Synonyms:
Propane,2-isocyano-2-methyl-;tert-Butyl isocyanide;2-Isocyano-2-methylpropane;tert-Butylisonitrile;1,1-Dimethylethyl isocyanide;t-Butylisocyanide;t-Butylisonitrile;1-tert-Butylisonitrile;17053-83-7;119072-55-8;943929-77-9;1627209-96-4;2408960-27-8
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

tert-Butyl isocyanide Basic Attributes

Molecular Weight：

83.13

Exact Mass：

83.073502

BRN：

1903156

EC Number：

230-553-5

NSC Number：

141687

DSSTox ID：

DTXSID60222145

HScode：

2926909090

Characteristics

PSA：

4.4

XLogP3：

0.93490

Appearance：

colorless liquid

Density：

0.735 g/mL at 25 °C(lit.)

Melting Point：

148-150 °C

Boiling Point：

91 °C(lit.)

Flash Point：

-2 °C

Refractive Index：

n20/D 1.376(lit.)

Water Solubility：

soluble in organic solvents such as ethanol, methanol, ether, toluene and dichloromethane.

Storage Conditions：

Flammables area

Toxicity：

Inhalation-rat LC50: 710 mg/m3/4 hours; inhalation-mouse LC50: 377 mg/m3/4 hours

Flammability characteristics：

In case of heat, open flame, strong oxidant is flammable; thermal decomposition emits toxic nitrogen oxides and cyanide fumes

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

11-23-2017/11/23

safety instructions：

16-45

RTECS Number：

EQ7102500

Marks：

F,T

Storage features：

Treasury is ventilated, low temperature and dry; anti-open flame, stored separately from oxidant

Stability/Shelf Life：

store cold

Precautionary statement(s)：

P210-P260-P284-P310

Hazard Statements：

H225-H330

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P271, P280, P284, P303+P361+P353, P304+P340, P310, P320, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

1,1-dimethylethyl isocyanide

Computed Properties

Molecular Weight:83.13
XLogP3:0.9
Hydrogen Bond Acceptor Count:1
Exact Mass:83.073499291
Monoisotopic Mass:83.073499291
Topological Polar Surface Area:4.4
Heavy Atom Count:6
Complexity:77.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyltriethylammonium chloride

tert-Butylamine

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