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2,4,6-TRIMETHYLPHENYLISOTHIOCYANATE

2,4,6-TRIMETHYLPHENYLISOTHIOCYANATE structure

CAS No:
6095-82-5
Formula:
C10H11NS
Chemical Name:
2,4,6-TRIMETHYLPHENYLISOTHIOCYANATE
Synonyms:
MESITYL ISOTHIOCYANATE;Isothiocyanatomesitylene;2,4,6-TRIMETHYLPHENYL ISOTHIOCYANATE;2-Isothiocyanato-1,3,5-trimethylbenzene;2,4,6-Trimethylphenyl isothiocyanate 97%
Categories:
Organic Chemistry > Coordination Complexes

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2,4,6-TRIMETHYLPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

177.26600

Exact Mass：

177.06100

DSSTox ID：

DTXSID60209779

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

3.34610

Density：

1 g/cm3

Melting Point：

63-64°C

Boiling Point：

144-145°C 10mm

Flash Point：

144-145°C/10mm

Refractive Index：

1.549

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2811

hazard class code：

R20/21/22;R36/37/38

safety instructions：

S26-S36/37/39

Marks：

Precautionary statement(s)：

P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P337+P313, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (11.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.27
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:177.06122053
Monoisotopic Mass:177.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2,4,6-Trimethylphenyl isothiocyanate 99% kanbei

CAS No.: 6095-82-5

Content: 99%

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