Thiocyanatoacetic acid butyl ester

Modify Date: 2025-09-22 08:47:41

Thiocyanatoacetic acid butyl ester structure	Common Name	Thiocyanatoacetic acid butyl ester
	CAS Number	5345-64-2	Molecular Weight	173.23300
	Density	1.118g/cm3	Boiling Point	258.3ºC at 760 mmHg
	Molecular Formula	C₇H₁₁NO₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	110ºC

Name	butyl 2-thiocyanatoacetate
Synonym	More Synonyms

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
InChIKey	XZTITLBRCIKBCW-UHFFFAOYSA-N
SMILES	CCCCOC(=O)CSC#N

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

Butyl Chloroacetate

CAS#:590-02-3

ammonium;thiocyanate

CAS#:1147550-11-5

Thiocyanatoacet...

CAS#: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
CAS#:590-02-3 Butyl Chloroacetate
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%

Thiocanatoessigsaeure-butylester

Thiocyano-essigsaeure-N-butyl-ester

ACETIC ACID,THIOCYANATO-,BUTYL ESTER

thiocyanato-acetic acid butyl ester

Thiocyanato-essigsaeure-butylester

WLN: NCS1VO4

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Product Name: Thiocyanatoacetic acid butyl ester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Thiocyanatoacetic acid butyl ester

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.