Benzene,1,3-bis(isothiocyanatomethyl)-

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Names

[ CAS No. ]:
28170-90-3

[ Name ]:
Benzene,1,3-bis(isothiocyanatomethyl)-

[Synonym ]:
m-xylylenediisothiocyanate

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • m-Xylylenediamine
  • N,N'-Thiocarbonyldiimidazole
  • Thiophosgene
  • Carbon disulphide
  • 1,4-Phenylenedimethanamine
  • m-Phenylenediamine
  • 2-(2-ethenoxyethoxymethyl)oxirane

DownStream

Related Compounds

  • benzene-1,3-bis-sulfonohydroxamic acid
  • Benzene,1,3-bis(2,4-dinitrophenoxy)-
  • Benzene,1,3-bis(1,1-dimethylethyl)-
  • Benzene, 1,3-bis(diisopropylphosphinomethyl)-
  • Benzene,1,3-bis(3-phenoxyphenoxy)-
  • Benzene, 1, 3-bis (2,2-dimethylpropyl)-2,4,5,6-tetramethyl-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N'-[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-(naphthalen-1-yl)acetohydrazide
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide