Thiocyanic acid, 3-chloro-2-propenyl ester

Modify Date: 2025-08-28 10:22:59

Thiocyanic acid, 3-chloro-2-propenyl ester structure	Common Name	Thiocyanic acid, 3-chloro-2-propenyl ester
	CAS Number	76855-01-1	Molecular Weight	133.59900
	Density	1.249g/cm3	Boiling Point	224.3ºC at 760 mmHg
	Molecular Formula	C₄H₄ClNS	Melting Point	N/A
	MSDS	N/A	Flash Point	89.5ºC

Name	[(E)-3-chloroprop-2-enyl] thiocyanate
Synonym	More Synonyms

Density	1.249g/cm3
Boiling Point	224.3ºC at 760 mmHg
Molecular Formula	C₄H₄ClNS
Molecular Weight	133.59900
Flash Point	89.5ºC
Exact Mass	132.97500
PSA	49.09000
LogP	1.95318
Index of Refraction	1.537
InChIKey	KLFSZAVVJVHPTD-OWOJBTEDSA-N
SMILES	N#CSCC=CCl

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XK8561000

CHEMICAL NAME :: Thiocyanic acid, 3-chloroallyl ester

CAS REGISTRY NUMBER :: 76855-01-1

BEILSTEIN REFERENCE NO. :: 1748629

LAST UPDATED :: 199706

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C4-H4-Cl-N-S

MOLECULAR WEIGHT :: 133.60

WISWESSER LINE NOTATION :: NCS2U1G

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 :: 13 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#09630

1,3-dichloropropene

CAS#:542-75-6

Potassium thioc...

CAS#:333-20-0

~47%

Thiocyanic acid...

CAS#:76855-01-1

Literature: Schulze, K.; Richter, F.; Weisheit, R.; Krause, R.; Muehlstaedt, M.; Muehlstaedt, M. Journal fuer Praktische Chemie (Leipzig), 1980 , vol. 322, # 4 p. 629 - 637

Precursor 2
CAS#:542-75-6 1,3-dichloropropene CAS#:333-20-0 Potassium thioc...
DownStream 0

3-chloro-allyl thiocyanate

Thiocyanic acid,3-chloro-2-propenyl ester

3-Chlor-allylthiocyanat

Thiocyanic acid,3-chloroallyl ester

3-chloroprop-2-en-1-yl thiocyanate

1-Chlor-3-thiocyanatopropen

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Product Name: Thiocyanic acid, 3-chloro-2-propenyl ester
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Thiocyanic acid, 3-chloro-2-propenyl ester

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.