Benzoyl isothiocyanate

ALDRICH/261653 - 98%

Synonym: Benzoylthiocarbimide; N-Benzoyl isothiocyanate

CAS Number: 532-55-8
Empirical Formula (Hill Notation): C₈H₅NOS
Molecular Weight: 163.20
EC Number: 208-540-0
MDL Number: MFCD00004815
Linear Formula: C₆H₅CONCS
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-261653-5G	5 g	$57.60 1/EA		Add To Favorites
45-261653-25G	25 g	$122.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
bp	128-131 °C/15 mmHg (lit.)
density	1.214 g/mL at 25 °C (lit.)
form	liquid
functional group	amine
	isothiocyanate
	phenyl
InChI	1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
InChI key	CPEKAXYCDKETEN-UHFFFAOYSA-N
Quality Level	200
refractive index	n20/D 1.6354 (lit.)
SMILES string	O=C(N=C=S)c1ccccc1
storage temp.	2-8°C

Application:	Benzoyl isothiocyanate has been used in the preparation of: • 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative • guanine
Packaging:	5, 25 g in glass bottle

Symbol	GHS05,GHS06
Signal word	Danger
Hazard statements	H301 - H317 - H318
Precautionary statements	P280 - P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338 + P310
Hazard Codes	T
Risk Statements	25-32-36-43
Safety Statements	26-36/37-45
RIDADR	UN 2810 6.1 / PGIII
WGK Germany	WGK 3
Flash Point(F)	235.4 °F - closed cup
Flash Point(C)	113 °C - closed cup
Supplemental Hazard Statements	EUH032

Purity	98%
bp	128-131 °C/15 mmHg (lit.)
Density	1.214 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.6354 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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