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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: methyl 2-thiocyanatoacetate
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689-77-0

689-77-0 structure

689-77-0 structure

Name: methyl 2-thiocyanatoacetate
Chemical Name: methyl 2-thiocyanatoacetate
CAS Number: 689-77-0
Molecular Formula: C₄H₅NO₂S
Molecular Weight: 131.15300
Create Date: 2017-10-21 00:19:00
Modify Date: 2025-09-01 17:21:04

Name	methyl 2-thiocyanatoacetate
Synonyms	WLN: NCS1VO1 ACETIC ACID,THIOCYANATO-,METHYL ESTER methoxycarbonylmethyl thiocyanate methyl thiocyanatoacetate Thiocyano-essigsaeure-methyl-ester Thiocyanatoacetic acid methyl ester S-Cyan-thioglykolsaeure-methylester Rhodanessigsaeure-methylester Thiocyanato-essigsaeure-methylester Thiocyano-essigsaeure-methyl-ester [German]

Density	1.244g/cm3
Boiling Point	213.3ºC at 760 mmHg
Molecular Formula	C₄H₅NO₂S
Molecular Weight	131.15300
Flash Point	82.8ºC
Exact Mass	131.00400
PSA	75.39000
LogP	0.37368
Index of Refraction	1.486

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AJ6320000

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

CAS REGISTRY NUMBER :: 689-77-0

BEILSTEIN REFERENCE NO. :: 1751314

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C4-H5-N-O2-S

MOLECULAR WEIGHT :: 131.16

WISWESSER LINE NOTATION :: NCS1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20 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

333-20-0 structure

333-20-0

96-34-4 structure

96-34-4

~%

689-77-0 structure

689-77-0

Literature: Wheeler; Barnes American Chemical Journal, 1900 , vol. 24, p. 76

105-45-3 structure

105-45-3

~%

689-77-0 structure

689-77-0

Literature: Minisci Gazzetta Chimica Italiana, 1959 , vol. 89, p. 2428,2434

1147550-11-5 structure

1147550-11-5

96-34-4 structure

96-34-4

~%

689-77-0 structure

689-77-0

Literature: Hayashi,T. Bulletin of the Chemical Society of Japan, 1972 , vol. 45, # 5 p. 1507 - 1515

Precursor 3
333-20-0 96-34-4 105-45-3
DownStream 4
625-59-2 16002-29-2 91313-59-6 77052-76-7

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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