Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Benzene,(1-isothiocyanatoethyl)-
Price: Check
Purity: 98.0%
Stocking Period: 10 Day
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzene,(1-isothiocyanatoethyl)-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

4478-92-6

4478-92-6 structure

4478-92-6 structure

Name: Benzene,(1-isothiocyanatoethyl)-
Chemical Name: Benzene,(1-isothiocyanatoethyl)
CAS Number: 4478-92-6
Molecular Formula: C₉H₉NS
Molecular Weight: 163.24
Catalog: Signaling Pathways Anti-infection Bacterial
Create Date: 2018-06-15 17:22:56
Modify Date: 2025-08-28 02:29:02
(1-Isothiocyanatoethyl)benzene (compound 27) is an antimicrobial agent[1].

Name	Benzene,(1-isothiocyanatoethyl)
Synonyms	MFCD00022061 (+/-)-1-phenylethylisothiocyanate (n)-1-phenylethyl isothiocyanate (1-isothiocyanato-ethyl)-benzene 1-Phenethylisothiocyanate

Description	(1-Isothiocyanatoethyl)benzene (compound 27) is an antimicrobial agent[1].
Related Catalog	Research Areas >> Infection Signaling Pathways >> Anti-infection >> Bacterial
References	[1]. Arkady Mustaev, et al. Isothiocyanate compounds, pharmaceutical compositions, and uses thereof. WO2008082692A2.

Density	1.06
Boiling Point	246.4ºC at 760mmHg
Molecular Formula	C₉H₉NS
Molecular Weight	163.24
Flash Point	102.3ºC
Exact Mass	163.04600
PSA	44.45000
LogP	2.85040
Index of Refraction	1.581
Storage condition	2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8800000

CHEMICAL NAME :: Isothiocyanic acid, (alpha-methylbenzyl) ester

CAS REGISTRY NUMBER :: 4478-92-6

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H9-N-S

MOLECULAR WEIGHT :: 163.25

WISWESSER LINE NOTATION :: SCNY1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02755

Hazard Codes	T+
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	UN 2810
Packaging Group	III

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