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BENZHYDRYLISOTHIOCYANATE

BENZHYDRYLISOTHIOCYANATE structure

CAS No:
3550-21-8
Formula:
C14H11NS
Chemical Name:
BENZHYDRYLISOTHIOCYANATE
Synonyms:
Benzhydryl isothiocyanate;[Isothiocyanato(phenyl)methyl]benzene;BENZHYDRylisoTHIOCYANATE;diphenylmethyl isothiocyanate;Benzene, 1,1"-(isothiocyanatomethylene)bis-;CHEMBL3409412;diphenylmethanisothiocyanate;isothiocyanatodiphenylmethane;ACMC-20alq6;benzhydryl-isothiocyanate
Categories:
Chemical Reagents > Organic Reagents

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BENZHYDRYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

225.31

Exact Mass：

225.06100

BRN：

2210613

EC Number：

-0

DSSTox ID：

DTXSID30334446

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

3.87880

Density：

1.05g/cm3

Melting Point：

57-61 °C(lit.)

Boiling Point：

160-165°C4mm

Flash Point：

160-165°C/4mm

Refractive Index：

1.59

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

20/21/22-36/37/38-42

safety instructions：

22-26-36

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H312-H315-H319-H332-H334-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:225.31
XLogP3:5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:225.06122053
Monoisotopic Mass:225.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:16
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes