Phenethyl isothiocyanate

ALDRICH/253731 - 99%

Synonym: 2-Phenylethyl isothiocyanate

CAS Number: 2257-09-2
Empirical Formula (Hill Notation): C₉H₉NS
Molecular Weight: 163.24
EC Number: 218-855-5
MDL Number: MFCD00004821
Linear Formula: C₆H₅CH₂CH₂NCS
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-253731-5G	5 g	$64.40 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	139-140 °C/11 mmHg (lit.)
density	1.094 g/mL at 25 °C (lit.)
form	liquid
functional group	amine
	isothiocyanate
	phenyl
InChI	1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChI key	IZJDOKYDEWTZSO-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.5888 (lit.)
SMILES string	S=C=NCCc1ccccc1
storage temp.	2-8°C

General description:	Phenethyl isothiocyanate is a naturally occurring isothiocyanate in cruciferous vegetables. Phenethyl isothiocyanate is a chemopreventive agent. It inhibits cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models.
Packaging:	5 g in glass bottle

Symbol	GHS07,GHS08
Signal word	Danger
Hazard statements	H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335
Precautionary statements	P280 - P301 + P312 + P330 - P302 + P352 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38-42
Safety Statements	23-26-36
RIDADR	UN 2206PSN2C 6.1 / PGIII
WGK Germany	WGK 3
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup

Purity	99%
bp	139-140 °C/11 mmHg (lit.)
Density	1.094 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.5888 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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