Toluene-2,4-dithioisocyanate

Modify Date: 2025-08-25 09:55:25

Toluene-2,4-dithioisocyanate Structure
Toluene-2,4-dithioisocyanate structure
 Common Name Toluene-2,4-dithioisocyanate
CAS Number 4891-66-1 Molecular Weight 206.28700
Density 1.17g/cm3 Boiling Point 375.1ºC at 760 mmHg
Molecular Formula C9H6N2S2 Melting Point 54-57ºC(lit.)
MSDS Chinese USA Flash Point 192.2ºC
Symbol GHS07 GHS08
GHS07, GHS08		 Signal Word Danger

 Names

Name toluene 2,4-diisothiocyanate
Synonym More Synonyms

 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

 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
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

toluene 2,4-diisocyanate structure

toluene 2,4-dii...

CAS#:584-84-9

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Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Literature: Du Pont de Nemours and Co. Patent: US2681358 , 1952 ;
N',N'''-diphenyl-N,N''-(4-methyl-m-phenylene)-bis-thiourea structure

N',N'''-dipheny...

CAS#:274932-44-4

~%

Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Literature: Billeter; Steiner Chemische Berichte, 1885 , vol. 18, p. 3293 Chemische Berichte, 1887 , vol. 20, p. 228 Full Text Show Details Lussy Chemische Berichte, 1875 , vol. 8, p. 670
1,3-Bis-(diaethoxythiophosphorylmercaptocarbonylamino)-4-methyl-benzol structure

1,3-Bis-(diaeth...

CAS#:15828-81-6

~%

Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Literature: Ottmann,G.; Hooks,H. Angewandte Chemie, 1966 , vol. 78, p. 748 - 749
2,4-Diaminotoluene structure

2,4-Diaminotoluene

CAS#:95-80-7

~%

Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Literature: Lussy Chemische Berichte, 1875 , vol. 8, p. 670
Thiophosgene structure

Thiophosgene

CAS#:463-71-8

2,4-Diaminotoluene structure

2,4-Diaminotoluene

CAS#:95-80-7

~%

Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Literature: Billeter; Steiner Chemische Berichte, 1887 , vol. 20, p. 231
Thiophosgene structure

Thiophosgene

CAS#:463-71-8

Chloroform structure

Chloroform

CAS#:67-66-3

2,4-Diaminotoluene structure

2,4-Diaminotoluene

CAS#:95-80-7

~%

Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Literature: Billeter; Steiner Chemische Berichte, 1887 , vol. 20, p. 231
Hydrochloric acid structure

Hydrochloric acid

CAS#:7647-01-0

N',N'''-diphenyl-N,N''-(4-methyl-m-phenylene)-bis-thiourea structure

N',N'''-dipheny...

CAS#:274932-44-4

~%

2,4-Diaminotoluene structure

2,4-Diaminotoluene

CAS#:95-80-7

Toluene-2,4-dithioisocyanate Structure

Toluene-2,4-dit...

CAS#:4891-66-1

Detail
Literature: Billeter; Steiner Chemische Berichte, 1885 , vol. 18, p. 3293 Chemische Berichte, 1887 , vol. 20, p. 228 Full Text Show Details Lussy Chemische Berichte, 1875 , vol. 8, p. 670

 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%

 Synonyms

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
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