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Pentylisocyanate

Pentylisocyanate structure

CAS No:
3954-13-0
Formula:
C6H11NO
Chemical Name:
Pentylisocyanate
Synonyms:
PENTYLISOCYANATE;N-PENTYLISOCYANATE;1-PENTYLISOCYANATE;PENTYLISOCYANATE98%;Pentylisocyanate,98%;1-Pentylisocyanate,97%
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

Pentylisocyanate Basic Attributes

Molecular Weight：

113.16

Exact Mass：

113.084061

BRN：

1746688

DSSTox ID：

DTXSID10192662

HScode：

29291090

Characteristics

PSA：

29.4

XLogP3：

2.95

Appearance：

Clear colorless Liquid

Density：

0.9±0.1 g/cm3

Boiling Point：

136-137 °C(lit.)

Flash Point：

90 °F

Refractive Index：

1.435

Storage Conditions：

Flammables area

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3080 6.1/PG 2

wgk germany：

hazard class code：

10-20/21/22-36/37/38-41

safety instructions：

16-26-36/37/39-45

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H312-H315-H318-H332-H335

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:113.16
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:29.4
Heavy Atom Count:8
Complexity:84.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Pentylamine

Sodium bicarbonate