2,4,6-Cycloheptatriene-1-carbonitrile

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Names

[ CAS No. ]:
13612-59-4

[ Name ]:
2,4,6-Cycloheptatriene-1-carbonitrile

[Synonym ]:
cyclohepta-2,4,6-triene-1-carbonitrile
2,4,6-Cycloheptatriene-1-carbonitrile

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

MSDS

Click to get detail MSDS

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(1S,2S,3S,6S)-7-cyano-2-hydroxybicyclo[4.1.0]hept-4-en-3-yl carbamimidothioate sulfate
Sodium ethyl xanthate
7-ethoxycyclohepta-1,3,5-triene
POTASSIUM CYANIDE
4-diazo-1,2,3-triazole
benzene
Trimethylsilyl cyanide
Tropylium tetrafluoroborate
(1S,4S,5S,6S)-5-hydroxy-4-thiocyanatobicyclo[4.1.0]hept-2-ene-7-carbonitrile

DownStream

Phenylacetic acid
TROPYLIUM PERCHLORATE
2,4,6-Cycloheptatriene-1-carboxamide(6CI,8CI,9CI)
2,4,6-Cycloheptatriene-1-carbonyl chloride (6CI,8CI,9CI)
2,4,6-Cycloheptatriene-1-carboxamide,N,N-dimethyl-(8CI,9CI)
ethyl cyclohepta-2,4,6-triene-1-carboxylate
cyclohepta-2,4,6-triene-1-carboxylic acid

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%

Articles

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

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

Tetrahedron Lett. 28 , 2513, (1987)

2,4,6-cycloheptatriene-1-carbonitrile
2,4,6-Cycloheptatriene-1-carbonitrile,1-methyl
2,4,6-Cycloheptatriene-1-carbonitrile,1,3-dimethyl
2,4,6-Cycloheptatriene-1-carbonitrile,3-bromo-1-methyl
2,4,6-Cycloheptatriene-1-carbonitrile,1-methyl-3-phenyl
2,4,6-Cycloheptatriene-1-carbonitrile,1-(1-methylethyl)-(9CI)
(1R,2S)-1-amino-1-(5-chloropyridin-3-yl)propan-2-ol
(1R,2R)-1-Amino-1-(5-chloropyridin-3-yl)propan-2-ol
(3S)-3-Amino-3-(5-chloro(2-pyridyl))propan-1-OL
2-Amino-2-(2,6-difluoro-3-methylphenyl)ethan-1-ol
3-Ethyl-2-methylquinoline-4-carboxylic acid
(1-(Methylsulfonyl)piperazin-2-yl)methanol
1-Amino-1-[2-(difluoromethyl)phenyl]acetone
2-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
N-(1-cyanocyclohexyl)-2-{[2-methyl-1-(3-methylpyridin-2-yl)propyl]amino}propanamide
{2-[(1H-imidazol-4-yl)methyl]phenyl}methanol

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