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DODECYLISOTHIOCYANATE

DODECYLISOTHIOCYANATE structure

CAS No:
1072-32-8
Formula:
C13H25NS
Chemical Name:
DODECYLISOTHIOCYANATE
Synonyms:
LAURYLISOTHIOCYANATE;DODECYLISOTHIOCYANATE;1-Isothiocyanatododecane;N-DODECYLISOTHIOCYANATE;1-dodecylisothiocyanate;n-Dodecylisothiocyanate,tech.;ISOTHIOCYANICACIDDODECYLESTER;1-DODECYLISOTHIOCYANATE:TECH.,90%;ISOTHIOCYANICACIDDODECYLESTER97+%

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DODECYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

227.41

Exact Mass：

227.17100

BRN：

1774889

EC Number：

-0

UNII：

572250J55E

DSSTox ID：

DTXSID30147937

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

5.01010

Density：

0.90

Boiling Point：

174 °C

Flash Point：

173-174°C/1mm

Refractive Index：

1.482

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2810

hazard class code：

20/22-36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

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, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:227.41
XLogP3:7.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:11
Exact Mass:227.17077098
Monoisotopic Mass:227.17077098
Topological Polar Surface Area:44.4
Heavy Atom Count:15
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of DODECYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

DODECYLISOTHIOCYANATE

SDS

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