Benzene,1,3-bis(isothiocyanatomethyl)-

Modify Date: 2024-01-10 15:12:22

Benzene,1,3-bis(isothiocyanatomethyl)- Structure
Benzene,1,3-bis(isothiocyanatomethyl)- structure
 Common Name Benzene,1,3-bis(isothiocyanatomethyl)-
CAS Number 28170-90-3 Molecular Weight 220.31400
Density 1.14g/cm3 Boiling Point 371.2ºC at 760mmHg
Molecular Formula C10H8N2S2 Melting Point N/A
MSDS N/A Flash Point 189.5ºC

 Names

Name Isothiocyanic acid, m-phenylenedimethylene ester
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.14g/cm3
Boiling Point 371.2ºC at 760mmHg
Molecular Formula C10H8N2S2
Molecular Weight 220.31400
Flash Point 189.5ºC
Exact Mass 220.01300
PSA 88.90000
LogP 2.89220
Vapour Pressure 2.24E-05mmHg at 25°C
Index of Refraction 1.613

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9510000
CHEMICAL NAME :
Isothiocyanic acid m-xylylene ester
CAS REGISTRY NUMBER :
28170-90-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H8-N2-S2
MOLECULAR WEIGHT :
220.32
WISWESSER LINE NOTATION :
SCN1R C1NCS

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 :
32 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#08308

 Synthetic Route

m-Xylylenediamine structure

m-Xylylenediamine

CAS#:1477-55-0

N,N'-Thiocarbonyldiimidazole structure

N,N'-Thiocarbon...

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~64%

Benzene,1,3-bis(isothiocyanatomethyl)- Structure

Benzene,1,3-bis...

CAS#:28170-90-3

Literature: Tobe, Yoshito; Sasaki, Shin-Ichi; Mizuno, Masaaki; Hirose, Keiji; Naemura, Koichiro Journal of Organic Chemistry, 1998 , vol. 63, # 21 p. 7481 - 7489
m-Xylylenediamine structure

m-Xylylenediamine

CAS#:1477-55-0

Thiophosgene structure

Thiophosgene

CAS#:463-71-8

~51%

Benzene,1,3-bis(isothiocyanatomethyl)- Structure

Benzene,1,3-bis...

CAS#:28170-90-3

Literature: Gross, Ralf; Duerner, Gerd; Goebel, Michael W. Liebigs Annalen der Chemie, 1994 , # 1 p. 49 - 58
m-Xylylenediamine structure

m-Xylylenediamine

CAS#:1477-55-0

~%

Benzene,1,3-bis(isothiocyanatomethyl)- Structure

Benzene,1,3-bis...

CAS#:28170-90-3

Literature: Li, Gang-Yue; Qian, Xu-Hong; Yan, Sheng-Gang; Cui, Jing-Nan; Huang, Qing-Chun; Zhang, Rong; Liu, Feng-Yu; Cui, Da-Wei Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 12 p. 2851 - 2861
Carbon disulphide structure

Carbon disulphide

CAS#:75-15-0

1,4-Phenylenedimethanamine structure

1,4-Phenylenedi...

CAS#:539-48-0

m-Phenylenediamine structure

m-Phenylenediamine

CAS#:108-45-2

~%

Benzene,1,3-bis(isothiocyanatomethyl)- Structure

Benzene,1,3-bis...

CAS#:28170-90-3

Detail
Literature: Nedolya, N. A.; Komel'kova, V. I.; Trofimov, B. A. Journal of Organic Chemistry USSR (English Translation), 1988 , p. 250 - 254 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 2 p. 286 - 291
Carbon disulphide structure

Carbon disulphide

CAS#:75-15-0

2-(2-ethenoxyethoxymethyl)oxirane structure

2-(2-ethenoxyet...

CAS#:16801-19-7

1,4-Phenylenedimethanamine structure

1,4-Phenylenedi...

CAS#:539-48-0

~%

Benzene,1,3-bis(isothiocyanatomethyl)- Structure

Benzene,1,3-bis...

CAS#:28170-90-3

Detail
Literature: Nedolya, N. A.; Komel'kova, V. I.; Trofimov, B. A. Journal of Organic Chemistry USSR (English Translation), 1988 , p. 250 - 254 Zhurnal Organicheskoi Khimii, 1988 , vol. 24, # 2 p. 286 - 291

 Synonyms

m-xylylenediisothiocyanate
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