p-Phenylene diisothiocyanate

Suppliers

Names

[ CAS No. ]:
4044-65-9

[ Name ]:
p-Phenylene diisothiocyanate

[Synonym ]:
Bitoscanate
EINECS 223-741-3
1,4-Diisothiocyanatobenzene,Bitoscanate,PDITC
p-Phenylene diisothiocyanate
MFCD00004811
Benzene 1,4-Diisothiocyanate
1,4-Diisothiocyanatobenzene
1,4-Phenylene Diisothiocyanate

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
339.4ºC at 760 mmHg

[ Melting Point ]:
129-131 °C(lit.)

[ Molecular Formula ]:
C8H4N2S2

[ Molecular Weight ]:
192.26100

[ Flash Point ]:
167.2ºC

[ Exact Mass ]:
191.98200

[ PSA ]:
88.90000

[ LogP ]:
3.15520

[ Vapour Pressure ]:
0.000182mmHg at 25°C

[ Index of Refraction ]:
1.641

[ Storage condition ]:
−20°C

[ Water Solubility ]:
chloroform: clear

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX9150000
CHEMICAL NAME :
Isothiocyanic acid, 1,4-phenylenedi-
CAS REGISTRY NUMBER :
4044-65-9
BEILSTEIN REFERENCE NO. :
2414340
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C8-H4-N2-S2
MOLECULAR WEIGHT :
192.26
WISWESSER LINE NOTATION :
SCNR DNCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Gastrointestinal - nausea or vomiting
REFERENCE :
JTMHA9 Journal of Tropical Medicine and Hygiene. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.10- 1907- Volume(issue)/page/year: 72,253,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
21 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JTMHA9 Journal of Tropical Medicine and Hygiene. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.10- 1907- Volume(issue)/page/year: 72,253,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
230 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 17,108,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 17,108,1973

Safety Information

[ Symbol ]:

GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H315-H319-H334-H335

[ Precautionary Statements ]:
P261-P301 + P310-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;Xi: Irritant;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S26-S36/37

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
NX9150000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • 4-Nitroaniline
  • methyl N-[4-(methylsulfanylcarbothioylamino)phenyl]carbamodithioate
  • p-Phenylenediamine
  • Ethanoic anhydride
  • Thiophosgene
  • Chloroform

DownStream

  • 1-N,4-N-bis(1,3-benzothiazol-2-yl)benzene-1,4-diamine
  • 1,4-Phenylenebis(thiourea)
  • Amoscanate
  • 4-phenyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

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%

Articles

Label-free impedimetric immunosensor for ultrasensitive detection of cancer marker Murine double minute 2 in brain tissue.

Biosens. Bioelectron. 39(1) , 220-5, (2013)

The detection of cancer biomarkers is as important tool for the diagnosis and prognosis of cancer such as brain cancer. Murine double minute 2 (MDM2) has been widely studied as prognostic marker for b...

Optimizing the immobilization of single-stranded DNA onto glass beads.

J. Biochem. Biophys. Methods 47(3) , 221-31, (2001)

The attachment of single-stranded DNA to a solid support has many biotechnology and molecular biology applications. This paper compares different immobilization chemistries to covalently link single-s...

Barcoded nucleotides.

Angew. Chem. Int. Ed. Engl. 51(1) , 254-7, (2012)


More Articles

Related Compounds

  • p-Phenylene-bis-1,1-(3-benzoyl-2-thiourea)
  • p-phenylene bis(4-octyloxybenzoate)
  • methylidynetri-p-phenylene triisocyanate
  • isopropylidenedi-p-phenylene tetra-o-tolyl bis(phosphate)
  • isopropylidenedi-p-phenylene dinonan-1-oate
  • [Methylenebis(p-phenylene)]diisocyanide
  • CyJohnPhos Pd G4
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • Ethyl 4-methyl-3-({[3-(trifluoromethyl)phenyl]methyl}amino)pentanoate
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 6-Chloro-4-(2-chlorophenyl)-1,2-dihydro-2-quinazolinecarboxylic acid
  • 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-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde