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4044-65-9

4044-65-9 structure
4044-65-9 structure

Name 1,4-phenylene diisothiocyanate
Synonyms 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
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

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
Symbol GHS06 GHS08
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
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%