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Propyl isothiocyanate

Propyl isothiocyanate structure

CAS No:
628-30-8
Formula:
C4H7NS
Chemical Name:
Propyl isothiocyanate
Synonyms:
Propane,1-isothiocyanato-;Isothiocyanic acid,propyl ester;1-Isothiocyanatopropane;Propyl isothiocyanate;n-Propyl isothiocyanate
Categories:
Chemical Reagents > Organic Reagents

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Description

clear light yellow liquid

Propyl isothiocyanate Basic Attributes

Molecular Weight：

101.17

Exact Mass：

101.17

BRN：

1740199

EC Number：

211-035-8

DSSTox ID：

DTXSID50211881

HScode：

29309090

Characteristics

PSA：

44.4

XLogP3：

1.49920

Appearance：

Clear light yellow Liquid

Density：

0.978

Boiling Point：

153 °C

Flash Point：

-15 °C

Refractive Index：

1.503-1.505

Storage Conditions：

Flammables area

Safety Information

Packing level：

Hazard category：

Transport codes：

2924

wgk germany：

hazard class code：

34-20/21/22-11-36/37

safety instructions：

36/37/39-33-27-26-16-45

Marks：

C-F,C,F

Precautionary statement(s)：

P210-P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H225-H302 + H312 + H332-H314-H335

GHS Classification：

|Danger|H225 (86.96%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:101.17
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:101.02992040
Monoisotopic Mass:101.02992040
Topological Polar Surface Area:44.4
Heavy Atom Count:6
Complexity:63.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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PROPYL ISOTHIOCYANATE

CAS No.: 628-30-8

Grade: industrial Grade

Content: 98%

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