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4-IODOPHENYLISOTHIOCYANATE

4-IODOPHENYLISOTHIOCYANATE structure

CAS No:
2059-76-9
Formula:
C7H4INS
Chemical Name:
4-IODOPHENYLISOTHIOCYANATE
Synonyms:
4-iodophenyl-isothiocyanate;4-iodophenylisothiocyanate;4-IPITC;4-Iodophenyl isothiocyanate;1-Iodo-4-isothiocyanatobenzene;BENZENE, 1-IODO-4-ISOTHIOCYANATO-;1-iodo-4-isothiocyanato-benzene;NSC 129262
Categories:
Chemical Reagents > Organic Reagents

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4-IODOPHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

261.08

Exact Mass：

260.91100

BRN：

2412143

EC Number：

-0

UNII：

WDF6UL9NHM

NSC Number：

129262

DSSTox ID：

DTXSID70174601

HScode：

2930909090

Characteristics

PSA：

44.45000

XLogP3：

3.02550

Density：

1.76 g/cm3

Melting Point：

70-76 °C(lit.)

Boiling Point：

299.5ºC at 760 mmHg

Flash Point：

134.9ºC

Refractive Index：

1.672

Water Solubility：

23.5mg/L(25 ºC)

Vapor Pressure：

0.00212mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Xi,T,C

Hazard note：

Toxic/Corrosive/Lachrymatory/Moisture Sensitive

GHS Classification：

|Warning|H315 (90.91%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-iodophenyl-isothiocyanate

Computed Properties

Molecular Weight:261.08
XLogP3:4.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:260.91092
Monoisotopic Mass:260.91092
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-IODOPHENYL ISOTHIOCYANATE

CAS No.: 2059-76-9

Content: 99.00%

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Guide of 4-IODOPHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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4-IODOPHENYLISOTHIOCYANATE

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