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Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
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Product Name: Thiocyanic acid, 3-chloro-2-propenyl ester
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76855-01-1

76855-01-1 structure

76855-01-1 structure

Name: Thiocyanic acid, 3-chloro-2-propenyl ester
Chemical Name: [(E)-3-chloroprop-2-enyl] thiocyanate
CAS Number: 76855-01-1
Molecular Formula: C₄H₄ClNS
Molecular Weight: 133.59900
Create Date: 2017-09-27 08:22:21
Modify Date: 2025-08-28 10:22:59

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

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

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

542-75-6 structure

542-75-6

333-20-0 structure

333-20-0

~47%

76855-01-1 structure

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
542-75-6 333-20-0
DownStream 0

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