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Product Name: Thiocyano-essigsaeure-N-amyl-ester [German]
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5439-31-6

5439-31-6 structure

5439-31-6 structure

Name: Thiocyano-essigsaeure-N-amyl-ester [German]
Chemical Name: pentyl 2-thiocyanatoacetate
CAS Number: 5439-31-6
Molecular Formula: C₈H₁₃NO₂S
Molecular Weight: 187.25900
Create Date: 2016-11-10 18:29:34
Modify Date: 2024-04-02 10:07:23

Name	pentyl 2-thiocyanatoacetate
Synonyms	ACETIC ACID,THIOCYANATO-,PENTYL ESTER Thiocyanatoacetic acid pentyl ester WLN: NCS1VO5 Thiocyano-essigsaeure-N-amyl-ester

Density	1.12g/cm3
Boiling Point	275.2ºC at 760mmHg
Molecular Formula	C₈H₁₃NO₂S
Molecular Weight	187.25900
Flash Point	120.3ºC
Exact Mass	187.06700
PSA	75.39000
LogP	1.93408
Index of Refraction	1.549

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ6330000

CHEMICAL NAME :: Acetic acid, thiocyanato-, pentyl ester

CAS REGISTRY NUMBER :: 5439-31-6

LAST UPDATED :: 199201

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H13-N-O2-S

MOLECULAR WEIGHT :: 187.28

WISWESSER LINE NOTATION :: NCS1VO5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 60 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

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