Thiocyanic acid,chloromethyl ester (7CI,8CI,9CI)

Modify Date: 2025-08-25 13:24:55

Thiocyanic acid,chloromethyl ester (7CI,8CI,9CI) structure	Common Name	Thiocyanic acid,chloromethyl ester (7CI,8CI,9CI)
	CAS Number	3268-79-9	Molecular Weight	107.56200
	Density	1.37 g/mL at 25 °C(lit.)	Boiling Point	76-78 °C15 mm Hg(lit.)
	Molecular Formula	C₂H₂ClNS	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	183 °F
	Symbol	GHS07	Signal Word	Warning

Name	chloromethyl thiocyanate
Synonym	More Synonyms

Density	1.37 g/mL at 25 °C(lit.)
Boiling Point	76-78 °C15 mm Hg(lit.)
Molecular Formula	C₂H₂ClNS
Molecular Weight	107.56200
Flash Point	183 °F
Exact Mass	106.96000
PSA	49.09000
LogP	1.39698
Index of Refraction	n20/D 1.515(lit.)
InChIKey	UXUCVNXUWOLPRU-UHFFFAOYSA-N
SMILES	N#CSCCl

MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XK8800000

CHEMICAL NAME :: Thiocyanic acid, chloromethyl ester

CAS REGISTRY NUMBER :: 3268-79-9

BEILSTEIN REFERENCE NO. :: 1098487

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C2-H2-Cl-N-S

MOLECULAR WEIGHT :: 107.56

WISWESSER LINE NOTATION :: NCS1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 9572 ug/kg

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

REFERENCE :: PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5600 ug/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#03775

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302 + H312 + H332
Supplemental HS	Contact with acids liberates very toxic gas.
Precautionary Statements	P280
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22;R32
Safety Phrases	S13-S36/37
RIDADR	UN 2810 6.1/PG 2
WGK Germany	3
RTECS	XK8800000
Packaging Group	III
Hazard Class	8
HS Code	2930909090

Bromochloromethane

CAS#:74-97-5

Benzyl triethyl...

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calcium thiocya...

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~72%

Thiocyanic acid...

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Literature: Offermanns; Heribert; Schwarze; Werner; Vanheertum; Rudolf Patent: US4124630 A1, 1978 ;

Dichloromethane

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Sodium thiocyanate

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~36%

Thiocyanic acid...

CAS#:3268-79-9

Literature: Kamalov, R. M.; Makarov, G. M.; Pudovik, M. A.; Cherkasov, R. A.; Pudovik, A. N. J. Gen. Chem. USSR (Engl. Transl.), 1990 , vol. 60, # 10.1 p. 2220 - 2226,1984 - 1988

Bromochloromethane

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Potassium thioc...

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Thiocyanic acid...

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Literature: Bulletin des Sciences Pharmacologiques, , vol. 29, p. 429

N/A

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(Z)-Methanimidi...

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Thiocyanic acid...

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Literature: Angewandte Chemie, , vol. 74, p. 861 - 866

Ethanol

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Bromochloromethane

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Potassium thioc...

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Thiocyanic acid...

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Detail

Literature: Bl.Sci.pharmachol., vol. 29, p. 426 Chem. Zentralbl., , vol. 94, # I p. 500

Precursor 8
CAS#:74-97-5 Bromochloromethane CAS#:56-37-1 Benzyl triethyl... CAS#:5892-22-8 calcium thiocya... CAS#:75-09-2 Dichloromethane
CAS#:540-72-7 Sodium thiocyanate CAS#:333-20-0 Potassium thioc... CAS#:77287-34-4 (Z)-Methanimidi... CAS#:64-17-5 Ethanol
DownStream 4
CAS#:2524-04-1 Diethyl chlorot... CAS#:21564-17-0 2-(Thiocyanatom... CAS#:91571-79-8 S-(Chloromethyl... CAS#:2524-06-3 Phosphorochlori...