764-49-8

764-49-8 structure

764-49-8 structure

Name: allyl thiocyanate
Chemical Name: allyl thiocyanate
CAS Number: 764-49-8
Molecular Formula: C₄H₅NS
Molecular Weight: 99.15420
Create Date: 2017-08-15 19:22:15
Modify Date: 2024-01-09 19:55:45

Name	allyl thiocyanate
Synonyms	Allylthiocyanat 3-Thiocyanato-propen Thiocyansaeure-allylester Allylrhodanid thiocyanic acid,2-propenyl ester Thiocyanic acid allyl Thiocyanic acid allyl ester 3-Thiocyanato-1-propene

Density	1.022g/cm3
Boiling Point	162ºC at 760 mmHg
Molecular Formula	C₄H₅NS
Molecular Weight	99.15420
Flash Point	51.8ºC
Exact Mass	99.01430
PSA	49.09000
LogP	1.38668
Index of Refraction	1.493

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XL2000000

CHEMICAL NAME :: Thiocyanic acid, 2-propenyl ester

CAS REGISTRY NUMBER :: 764-49-8

BEILSTEIN REFERENCE NO. :: 1739294

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C4-H5-N-S

MOLECULAR WEIGHT :: 99.16

WISWESSER LINE NOTATION :: NCS2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 12 mg/kg

TOXIC EFFECTS :: Autonomic Nervous System - other (direct) parasympathomimetic

REFERENCE :: AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930