allyl thiocyanate

Modify Date: 2024-01-09 19:55:45

allyl thiocyanate Structure
allyl thiocyanate structure
Common Name allyl thiocyanate
CAS Number 764-49-8 Molecular Weight 99.15420
Density 1.022g/cm3 Boiling Point 162ºC at 760 mmHg
Molecular Formula C4H5NS Melting Point N/A
MSDS N/A Flash Point 51.8ºC

 Names

Name allyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

 Synonyms

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