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4-Iodo-3-methylbenzonitrile

4-Iodo-3-methylbenzonitrile structure

CAS No:
42872-85-5
Formula:
C8H6IN
Chemical Name:
4-Iodo-3-methylbenzonitrile
Synonyms:
Benzonitrile,4-iodo-3-methyl-;4-Iodo-3-methylbenzonitrile;4-Iodo-m-tolunitrile

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4-Iodo-3-methylbenzonitrile Basic Attributes

Molecular Weight：

243.04400

Exact Mass：

243.04

DSSTox ID：

DTXSID40502472

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

2.47128

Density：

1.78g/cm3

Melting Point：

73-75 °C @ Solvent: Ethanol

Boiling Point：

295.7ºC at 760 mmHg

Flash Point：

132.6ºC

Refractive Index：

1.638

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:243.04
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Exact Mass:242.95450
Monoisotopic Mass:242.95450
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Iodo-3-methylbenzonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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