Toluene-2,4-dithioisocyanate

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Names

[ Name ]:
Toluene-2,4-dithioisocyanate

[Synonym ]:
2,4-Toluene diisothiocyanate
2,4-Tolylene diisothiocyanate
Isothiocyanic acid,2,4-tolylene diester
1,3-Bis-isothiocyanato-4-methyl-benzol
Toluene-2,4-dithioisocyanate
Tolylene-2,4-diisothiocyanate
4-methyl-m-phenylene diisothiocyanate
2,4-diisothiocyanato-1-methylbenzene
1-methylbenzene-2,4-diisothiocyanate
ISOTHIOCYANIC ACID,4-METHYL-m-PHENYLENE ESTER
MFCD00046797
4-Methyl-m-phenylendiisothiocyanat

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
375.1ºC at 760 mmHg

[ Melting Point ]:
54-57ºC(lit.)

[ Molecular Formula ]:
C₉H₆N₂S₂

[ Molecular Weight ]:
206.28700

[ Flash Point ]:
192.2ºC

[ Exact Mass ]:
205.99700

[ PSA ]:
88.90000

[ LogP ]:
3.46360

[ Index of Refraction ]:
1.627

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX8930000

CHEMICAL NAME :: Isothiocyanic acid, 4-methyl-m-phenylene ester

CAS REGISTRY NUMBER :: 4891-66-1

BEILSTEIN REFERENCE NO. :: 2415812

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H6-N2-S2

MOLECULAR WEIGHT :: 206.29

WISWESSER LINE NOTATION :: SCNR B1 ENCS

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#08183

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H312-H315-H319-H332-H334-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
20/21/22-36/37/38-42

[ Safety Phrases ]:
26-36

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
NX8930000

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

toluene 2,4-diisocyanate
N',N'''-diphenyl-N,N''-(4-methyl-m-phenylene)-bis-thiourea
2,4-Diaminotoluene
Thiophosgene
Chloroform
Hydrochloric acid

DownStream

1,1'-(4-Methyl-1,3-phenylene)bisthiourea
1-amino-3-[3-(aminocarbamothioylamino)-4-methylphenyl]thiourea

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%

Related Compounds

Toluene-2,4-dicarbamicacid, bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoroundecyl)ester (8CI)
toluene-2,4-di(carbamic acid (4-(1,1,3,3-tetramethylbutyl)phenyl) ester)
toluene-2,4-di(carbamic acid (3,5-dimethoxyphenyl) ester)
toluene-2,4-disulphonic acid
Toluene-2,4-diamine, monohydrochloride
Toluene-2,4-dicarbamicacid, bis(o-fluorophenyl) ester (8CI)
2-Cyclopropoxybenzenesulfonamide
1-(4-(6,7-Dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-ethylpiperazin-1-yl)propan-2-ol
4-Hydroxy-N,N-dimethyl-3-(methylthio)benzamide
N-[3-(3-Fluorophenyl)-2-(2-oxopiperidin-1-YL)propyl]acetamide
6-Phenyl-4-[(3,4,5-trimethoxyphenyl)methyl]diazinan-3-one
4-Methyl-2-(pyrrolidin-3-ylmethoxy)pyridine hydrochloride
N-(3,3-diphenylpropyl)-3-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)propanamide
5-Chloro-3-(2,3-dichlorophenyl)-1,2-oxazole
bis(3,5-ditert-butylphenyl)-(16-methoxy-9,10-dimethyl-8,11-dioxatricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaen-3-yl)phosphane
4-(4-chlorophenyl)-3-[3-[4-[4-[[4-[[3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonylamino]phenyl]piperazin-1-yl]phenyl]-5-ethyl-1-methyl-pyrrole-2-carboxylic acid

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