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2,4-DIMETHYLPHENYLISOTHIOCYANATE

2,4-DIMETHYLPHENYLISOTHIOCYANATE structure

CAS No:
39842-01-8
Formula:
C9H9NS
Chemical Name:
2,4-DIMETHYLPHENYLISOTHIOCYANATE
Synonyms:
2,4-DIMETHYLPHENYL ISOTHIOCYANATE;1-ISOTHIOCYANATO-2,4-DIMETHYLBENZENE;AKOS BBS-00004441;2,4-Xylyl Isothiocyanate;4-Isothiocyanato-m-xylene, 2,4-Dimethyl-1-isothiocyanatobenzene;2,4-Dimethylphenyl isothiocyate, 98%;Benzene, 1-isothiocyanato-2,4-dimethyl-;Isothiocyanic Acid 2,4-Dimethylphenyl Ester

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2,4-DIMETHYLPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

163.24

Exact Mass：

163.04557046 g/mol

EC Number：

635-358-2

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

3.03770

Density：

1.01g/cm3

Melting Point：

27 °C

Boiling Point：

122 °C

Flash Point：

122-130ºC

Refractive Index：

1.6230

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2811

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Marks：

Xi,C

GHS Classification：

|Danger|H301 (88.64%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:163.24
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:163.04557046
Monoisotopic Mass:163.04557046
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-DIMETHYLPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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