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4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE structure

CAS No:
1645-65-4
Formula:
C8H4F3NS
Chemical Name:
4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE
Synonyms:
4-(Trifluoromethyl)p;Isothiocyanic Acid 4-(Trifluoromethyl)phenyl Esteralpha,alpha,alpha-Trifluoro-p-tolyl Isothiocyanate;4-Isothiocyanatobenzotrifluoride, 1-Isothiocyanato-4-(trifluoromethyl)benzene;4-(Trifluoromethyl)phenyl isothiocyanate 97%;4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYATE;1-ISOTHIOCYANATO-4-(TRIFLUOROMETHYL)BENZENE;4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE;4-(Trifluoromethyl)phenyl thiocyanate
Categories:
Chemical Reagents > Organic Reagents

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Description

white to slightly yellow crystalline needles or chunks

4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE Basic Attributes

Molecular Weight：

203.18

Exact Mass：

203.001648

BRN：

2693553

DSSTox ID：

DTXSID30167771

HScode：

29309090

Characteristics

PSA：

44.4

XLogP3：

4.21

Appearance：

White to slightly yellow crystalline needles or chunks

Density：

1.3395 (estimate)

Melting Point：

39-43 °C(lit.)

Boiling Point：

81 °C11 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.503

Vapor Pressure：

3440mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

34-42-36/37/38-20/21/22

safety instructions：

26-36/37/39-45-22

Marks：

C,Xi,T,Xn

Hazard note：

Harmful/Irritant

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H334

GHS Classification：

|Danger|H314 (97.78%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P280, P285, P301+P330+P331, P303+P361+P353, P304+P340, P304+P341, P305+P351+P338, P310, P321, P342+P311, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:203.19
XLogP3:4.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.00165479
Monoisotopic Mass:203.00165479
Topological Polar Surface Area:44.4
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-(Trifluoromethyl)phenyl isothiocyanate

CAS No.: 1645-65-4

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CAS No.: 1645-65-4

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Guide of 4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

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