CAS 69113-59-3|3-Iodobenzonitrile

Introduction：Basic information about CAS 69113-59-3|3-Iodobenzonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles4
6. Synonyms

Common Name	3-Iodobenzonitrile
CAS Number	69113-59-3	Molecular Weight	229.018
Density	1.9±0.1 g/cm3	Boiling Point	260.1±23.0 °C at 760 mmHg
Molecular Formula	C₇H₄IN	Melting Point	40-43 °C(lit.)
MSDS	ChineseUSA	Flash Point	111.1±22.6 °C

Names

Name	3-Iodobenzonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.9±0.1 g/cm3
Boiling Point	260.1±23.0 °C at 760 mmHg
Melting Point	40-43 °C(lit.)
Molecular Formula	C₇H₄IN
Molecular Weight	229.018
Flash Point	111.1±22.6 °C
Exact Mass	228.938828
PSA	23.79000
LogP	2.75
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.661
InChIKey	BGARPMGQRREXLN-UHFFFAOYSA-N
SMILES	N#Cc1cccc(I)c1

Safety Information

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S36/37/39-S26-S37/39
RIDADR	3439
WGK Germany	3
Packaging Group	III
Hazard Class	6.1
HS Code	2926909090

Customs

HS Code	2926909090
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles4

Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.

Bioorg. Med. Chem. Lett. 19 , 5056-5059, (2009)

Compound 1 is a potent and selective antagonist of the dopamine D(3) receptor. With the aim of developing a carbon-11 labeled ligand for the dopamine D(3) receptor, 1 was selected as a potential PET p...

Synthesis of tetrachloroisophthalo-[¹⁴C]-nitrile. Davies PE.

J. Labelled Comp. Radiopharm. 21(3) , 285-292, (1984)

Synthesis of Chiral Amino Acid Anilides by Ligand-Free Copper-Catalyzed Selective N-Arylation of Amino Acid Amides Dong J, et al.

Adv. Synth. Catal. 355(4) , 692-696, (2013)

Synonyms

MFCD00079762

3-Iodobenzonitrile

Benzonitrile,3-iodo

m-iodobenzonitrile

3-iodobenzenecarbonitrile

m-cyanophenyl iodide

Benzonitrile, 3-iodo-

3-cyanophenyl iodide

1-Cyano-3-iodobenzene

3-iodo-benzonitrile

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