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

Names

[ Name ]:
Thiocyanic acid,chloromethyl ester (7CI,8CI,9CI)

[Synonym ]:
Chloromethylthiocyanate
chloro-thiocyanato-methane
Thiocyanic acid,chloromethyl ester
Chlormethylrhodanid
Chlor-methylthiocyanat
Chloromethylthiocyanogen
Chloromethyl thiocyanate
MFCD00001831
1-chloromethyl thiocyanate
EINECS 221-883-0
Thiocyanic Acid Chloromethyl Ester

Chemical & Physical Properties

[ 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.)

MSDS

Click to get detail MSDS

Toxicological Information

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

Safety Information

[ 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ 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%

Articles

Thiocyanate functionalised ionic liquids: synthesis, characterisation and reactivity. Zhao D, et al.

Eur. J. Inorg. Chem. 2007(2) , 279-284, (2007)