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28170-90-3

28170-90-3 structure
28170-90-3 structure
  • Name: Benzene,1,3-bis(isothiocyanatomethyl)-
  • Chemical Name: Isothiocyanic acid, m-phenylenedimethylene ester
  • CAS Number: 28170-90-3
  • Molecular Formula: C10H8N2S2
  • Molecular Weight: 220.31400
  • Create Date: 2016-11-08 10:10:48
  • Modify Date: 2025-08-22 20:29:48
Name Isothiocyanic acid, m-phenylenedimethylene ester
Synonyms m-xylylenediisothiocyanate
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

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
1477-55-0 structure

1477-55-0

6160-65-2 structure

6160-65-2

~64%

28170-90-3 structure

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
1477-55-0 structure

1477-55-0

463-71-8 structure

463-71-8

~51%

28170-90-3 structure

28170-90-3

Literature: Gross, Ralf; Duerner, Gerd; Goebel, Michael W. Liebigs Annalen der Chemie, 1994 , # 1 p. 49 - 58
1477-55-0 structure

1477-55-0

~%

28170-90-3 structure

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
75-15-0 structure

75-15-0

539-48-0 structure

539-48-0

108-45-2 structure

108-45-2

~%

28170-90-3 structure

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
75-15-0 structure

75-15-0

16801-19-7 structure

16801-19-7

539-48-0 structure

539-48-0

~%

28170-90-3 structure

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
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