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4-(METHYLTHIO)PHENYL ISOTHIOCYANATE

4-(METHYLTHIO)PHENYL ISOTHIOCYANATE structure

CAS No:
15863-41-9
Formula:
C8H7NS2
Chemical Name:
4-(METHYLTHIO)PHENYL ISOTHIOCYANATE
Synonyms:
1-Isothiocyanato-4-(methylsulfanyl)benzene;4-(METHYLSULFANYL)PHENYL ISOTHIOCYANATE;4-(METHYLTHIO)PHENYL ISOTHIOCYANATE;4-(Methylthio)phenyl isothiocyanate,98%;4-(Methylthio)phenyl isothiocyanate 98%
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow flakes and powder

4-(METHYLTHIO)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

181.28

Exact Mass：

181.00200

BRN：

2082547

DSSTox ID：

DTXSID00333906

HScode：

2930909090

Characteristics

PSA：

69.8

XLogP3：

3.14280

Density：

1.2625 (rough estimate)

Melting Point：

54-58 °C(lit.)

Boiling Point：

127-128 °C1 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.5700 (estimate)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-27-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P301 + P310 + P330-P305 + P351 + P338-P337 + P313

Hazard Statements：

H301-H315-H319

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:181.3
XLogP3:3.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.00199157
Monoisotopic Mass:181.00199157
Topological Polar Surface Area:69.8
Heavy Atom Count:11
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(METHYLTHIO)PHENYL ISOTHIOCYANATE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Latest News
Learn More Other Chemicals

4-(METHYLTHIO)PHENYL ISOTHIOCYANATE

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