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3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE

3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE structure

CAS No:
116492-97-8
Formula:
C13H10F3NOS2
Chemical Name:
3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE
Synonyms:
3,3-Di(methylthio)-2-[3-(trifluoromethyl)benzoyl]acrylonitrile;3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE;BUTTPARK 94\04-43;3,3-Di(methylthio)-2-[(trifluoromethyl)benzoyl]acrylonitrile;Bismethylthiotrifluoromethylbenzoyl]acrylonitrile;3,3-Bis(methylthio-2-[3-(trifluoromethyl)benzoyl]acrylonitrile 97%;3,3-Bis(methylthio-2-[3-(trifluoromethyl)benzoyl]acrylonitrile97%

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3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE Basic Attributes

Molecular Weight：

317.35

Exact Mass：

317.01600

DSSTox ID：

DTXSID70371097

HScode：

2930909090

Characteristics

PSA：

91.5

XLogP3：

4.34928

Density：

1.350±0.06 g/cm3(Predicted)

Melting Point：

60 °C

Boiling Point：

371.2±42.0 °C(Predicted)

Safety Information

Transport codes：

3439

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant/Stench

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:317.4
XLogP3:3.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:317.01559078
Monoisotopic Mass:317.01559078
Topological Polar Surface Area:91.5
Heavy Atom Count:20
Complexity:444
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE

SDS

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