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1-Fluoro-4-(isothiocyanatomethyl)benzene

1-Fluoro-4-(isothiocyanatomethyl)benzene structure

CAS No:
2740-88-7
Formula:
C8H6FNS
Chemical Name:
1-Fluoro-4-(isothiocyanatomethyl)benzene
Synonyms:
Benzene,1-fluoro-4-(isothiocyanatomethyl)-;Isothiocyanic acid,p-fluorobenzyl ester;1-Fluoro-4-(isothiocyanatomethyl)benzene;p-Fluorobenzyl isothiocyanate;4-Fluorobenzyl isothiocyanate;1-(Isothiocyanatomethyl)-4-fluorobenzene
Categories:
Chemical Reagents > Organic Reagents

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1-Fluoro-4-(isothiocyanatomethyl)benzene Basic Attributes

Molecular Weight：

167.2

Exact Mass：

167.20

BRN：

2085915

EC Number：

220-368-8

DSSTox ID：

DTXSID60181829

HScode：

2930909090

Characteristics

PSA：

44.4

XLogP3：

2.42850

Density：

1,22 g/cm3

Boiling Point：

122-124 °C @ Press: 8 Torr

Flash Point：

124-125°C/6mm

Refractive Index：

1.573

Storage Conditions：

Keep Cold

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2810

hazard class code：

20/21/22-36/37/38-25

safety instructions：

26-36/37/39-45

Marks：

C,T,Xi

Hazard note：

Toxic/Corrosive/Lachrymatory/Moisture Sensitive

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.21
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:167.02049853
Monoisotopic Mass:167.02049853
Topological Polar Surface Area:44.4
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Fluorobenzyl isothiocyanate

CAS No.: 2740-88-7

Content: 99.00%

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Guide of 1-Fluoro-4-(isothiocyanatomethyl)benzene

Basic Attributes
Characteristics
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Computed Properties
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