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3,4,5-Trimethoxyphenyl isothiocyanate

3,4,5-Trimethoxyphenyl isothiocyanate structure

CAS No:
35967-24-9
Formula:
C10H11NO3S
Chemical Name:
3,4,5-Trimethoxyphenyl isothiocyanate
Synonyms:
Benzene,5-isothiocyanato-1,2,3-trimethoxy-;5-Isothiocyanato-1,2,3-trimethoxybenzene;3,4,5-Trimethoxyphenyl isothiocyanate
Categories:
Chemical Reagents > Organic Reagents

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3,4,5-Trimethoxyphenyl isothiocyanate Basic Attributes

Molecular Weight：

225.26

Exact Mass：

225.26

BRN：

2736554

EC Number：

252-820-5

UNII：

7A2333C6KU

DSSTox ID：

DTXSID90189515

HScode：

2930909090

Characteristics

PSA：

72.1

XLogP3：

2.44670

Density：

1.15g/cm3

Melting Point：

62-65 °C(lit.)

Boiling Point：

350.2ºC at 760mmHg

Flash Point：

165.6ºC

Refractive Index：

1.527

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3261 8/PG 2

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 (97.67%): 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:225.27
XLogP3:3.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:225.04596439
Monoisotopic Mass:225.04596439
Topological Polar Surface Area:72.1
Heavy Atom Count:15
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 35967-24-9

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Guide of 3,4,5-Trimethoxyphenyl isothiocyanate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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3,4,5-Trimethoxyphenyl isothiocyanate

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