Isothiocyanic acid, carbobutoxymethyl ester

Modify Date: 2025-08-27 12:57:15

Isothiocyanic acid, carbobutoxymethyl ester structure	Common Name	Isothiocyanic acid, carbobutoxymethyl ester
	CAS Number	58511-01-6	Molecular Weight	173.23300
	Density	1.07g/cm3	Boiling Point	244ºC at 760 mmHg
	Molecular Formula	C₇H₁₁NO₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	101.4ºC

Name	butyl 2-isothiocyanatoacetate
Synonym	More Synonyms

Density	1.07g/cm3
Boiling Point	244ºC at 760 mmHg
Molecular Formula	C₇H₁₁NO₂S
Molecular Weight	173.23300
Flash Point	101.4ºC
Exact Mass	173.05100
PSA	70.75000
LogP	1.43250
Index of Refraction	1.496

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8420000

CHEMICAL NAME :: Isothiocyanic acid, butoxycarbonylmethyl ester

CAS REGISTRY NUMBER :: 58511-01-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

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

MOLECULAR WEIGHT :: 173.25

WISWESSER LINE NOTATION :: SCN1VO4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07919

Thiophosgene structure

Thiophosgene

CAS#:463-71-8

GLYCINE N-BUTYL ESTER HYDROCHLORIDE structure

GLYCINE N-BUTYL...

CAS#:13048-99-2

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Isothiocyanic acid, carbobutoxymethyl ester Structure

Isothiocyanic a...

CAS#:58511-01-6

Literature: Floch,L.; Kovac,S. Collection of Czechoslovak Chemical Communications, 1975 , vol. 40, p. 2845 - 2854

Precursor 2
CAS#:463-71-8 Thiophosgene CAS#:13048-99-2 GLYCINE N-BUTYL...
DownStream 0

ISOTHIOCYANIC ACID,BUTOXYCARBONYLMETHYL ESTER

Isothiocyanic acid,carbobutoxymethyl ester

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