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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Thiocyanatoacetic acid butyl ester
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5345-64-2

5345-64-2 structure

5345-64-2 structure

Name: Thiocyanatoacetic acid butyl ester
Chemical Name: butyl 2-thiocyanatoacetate
CAS Number: 5345-64-2
Molecular Formula: C₇H₁₁NO₂S
Molecular Weight: 173.23300
Create Date: 2017-05-07 07:40:21
Modify Date: 2025-09-22 08:47:41

Name	butyl 2-thiocyanatoacetate
Synonyms	Thiocanatoessigsaeure-butylester Thiocyano-essigsaeure-N-butyl-ester ACETIC ACID,THIOCYANATO-,BUTYL ESTER thiocyanato-acetic acid butyl ester Thiocyanato-essigsaeure-butylester WLN: NCS1VO4

Density	1.118g/cm3
Boiling Point	258.3ºC at 760 mmHg
Molecular Formula	C₇H₁₁NO₂S
Molecular Weight	173.23300
Flash Point	110ºC
Exact Mass	173.05100
PSA	75.39000
LogP	1.54398
Index of Refraction	1.481

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ6000000

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

CAS REGISTRY NUMBER :: 5345-64-2

BEILSTEIN REFERENCE NO. :: 1771501

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H11-N-O2-S

MOLECULAR WEIGHT :: 173.25

WISWESSER LINE NOTATION :: NCS1VO4

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

HS Code	2930909090

590-02-3 structure

590-02-3

1147550-11-5 structure

1147550-11-5

~%

5345-64-2 structure

5345-64-2

Literature: Speroni et al. Chimica e l'Industria (Milan, Italy), 1951 , vol. 33, p. 209 Full Text Show Details Ito et al. Nippon Nogei Kagaku Kaishi, 1951 , vol. 25, p. 397 Chem.Abstr., 1953 , p. 6492

Precursor 1
590-02-3
DownStream 0

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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