Toluene-2,4-dithioisocyanate

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Names

[ CAS No. ]:
4891-66-1

[ 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)
  • N-(6-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)thiophene-2-carboxamide hydrochloride
  • N-(6-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-2-oxo-2H-chromene-3-carboxamide hydrochloride
  • N-(6-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-3-phenylpropanamide hydrochloride
  • N-(6-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-2-phenoxyacetamide hydrochloride
  • N-(6-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-3-(phenylthio)propanamide hydrochloride
  • N-(6-bromobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-4-nitrobenzamide hydrochloride
  • N-(6-Bromo-1,3-benzothiazol-2-YL)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide hydrochloride
  • N-(6-bromobenzo[d]thiazol-2-yl)-4-cyano-N-(2-(dimethylamino)ethyl)benzamide hydrochloride
  • 4-acetyl-N-(6-bromobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)benzamide hydrochloride
  • (E)-N-(6-bromobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-3-(thiophen-2-yl)acrylamide hydrochloride