CAS 13612-59-4|2,4,6-Cycloheptatriene-1-carbonitrile

Introduction：Basic information about CAS 13612-59-4|2,4,6-Cycloheptatriene-1-carbonitrile, 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. Articles7
6. Synonyms

Common Name	2,4,6-Cycloheptatriene-1-carbonitrile
CAS Number	13612-59-4	Molecular Weight	117.14800
Density	1.017	Boiling Point	51-53ºC (1.5 mmHg)
Molecular Formula	C₈H₇N	Melting Point	/
MSDS	ChineseUSA	Flash Point	185 °F
Symbol	GHS07	Signal Word	Warning

Names

Name	Cyclohepta-2,4,6-trienecarbonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.017
Boiling Point	51-53ºC (1.5 mmHg)
Molecular Formula	C₈H₇N
Molecular Weight	117.14800
Flash Point	185 °F
Exact Mass	117.05800
PSA	23.79000
LogP	1.80838
Vapour Pressure	0.0245mmHg at 25°C
Index of Refraction	1.533
InChIKey	LADCKIXFXIKHQM-UHFFFAOYSA-N
SMILES	N#CC1C=CC=CC=C1

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H312-H332
Precautionary Statements	P280
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn: Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S36
RIDADR	NA 1993 / PGIII
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%

Articles7

Magn. Reson. Chem. 28 , 364, (1990)

J. Org. Chem. 52 , 2666, (1987)

Tetrahedron Lett. 28 , 2513, (1987)

Synonyms

cyclohepta-2,4,6-triene-1-carbonitrile

2,4,6-Cycloheptatriene-1-carbonitrile

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