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3,4-Difluorophenyl isothiocyanate

3,4-Difluorophenyl isothiocyanate structure

CAS No:
113028-75-4
Formula:
C7H3F2NS
Chemical Name:
3,4-Difluorophenyl isothiocyanate
Synonyms:
3,4-DIFLUOROPHENYL ISOTHIOCYANATE;3,4-DIFLUORO-(ISOTHIOCYANATO)-BENZENE;DFNCS (1,2-DIFLUORO-4-ISOTHIOCYANATOBENZENE);Benzene, 1,2-difluoro-4-isothiocyanato- (9CI);3,4-Difluorophenyl isothiocyanate 99%;3,4-Difluorophenylisothiocyanate99%
Categories:
Chemical Reagents > Organic Reagents

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3,4-Difluorophenyl isothiocyanate Basic Attributes

Molecular Weight：

171.17

Exact Mass：

170.99500

DSSTox ID：

DTXSID00374278

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

2.69910

Density：

1.26±0.1 g/cm3(Predicted)

Boiling Point：

170°C(lit.)

Flash Point：

97ºC

Refractive Index：

1.5970 to 1.6010

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG III

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:171.17
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:170.99542660
Monoisotopic Mass:170.99542660
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Difluorophenyl isothiocyanate

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

3,4-Difluorophenyl isothiocyanate

SDS

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