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3-Cyano-4-fluorobenzotrifluoride

3-Cyano-4-fluorobenzotrifluoride structure

CAS No:
4088-84-0
Formula:
C8H3F4N
Chemical Name:
3-Cyano-4-fluorobenzotrifluoride
Synonyms:
3-Cyano-4-fluorobenz;3-CYANO-4-FLUOROBENZOTRIFLUORIDE;à,à,à,6-tetrafluoro-m-tolunitrile;2-FLUORO-5-(TRIFLUOROMETHYL)BENZONITRILE;2-Fluoro-5-(trifluoromethyl)benzonitrile97%;2-Fluoro-5-(trifluoromethyl)benzonitrile97%;alpha,alpha,alpha-6-Tetrafluoro-m-tolunitrile;2-FLUORO-5-(TRIFLUOROMETHYL)BENZONITRILE/3-CYANO-4-FLUOROBENZOTRIFLUORIDE;3-Cyano-4-fluorobenzotrifluoride~alpha,alpha,alpha,6-Tetrafluoro-m-tolunitrile;3-Cyano-4-fluorobenzotrifluoride,3-Cyano-alpha,alpha,alpha,4-tetrafluorotoluene
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-Cyano-4-fluorobenzotrifluoride Basic Attributes

Molecular Weight：

189.11

Exact Mass：

189.020157

BRN：

2616671

DSSTox ID：

DTXSID40334533

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.6

Density：

1.4±0.1 g/cm3

Boiling Point：

185-187°C

Flash Point：

185-187°C

Refractive Index：

1.444

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-36/37/39-45-36-36/37-23-9

Marks：

T,Xi,Xn

Hazard note：

Toxic

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 (18.18%): 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 11 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.11
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Exact Mass:189.02016175
Monoisotopic Mass:189.02016175
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Cyano-4-fluorobenzotrifluoride

Basic Attributes
Characteristics
Safety Information
Computed Properties
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