Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1,4-phenylene diisothiocyanate
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Purity: 98.0%
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4044-65-9

4044-65-9 structure

Name: p-Phenylene diisothiocyanate
Chemical Name: 1,4-phenylene diisothiocyanate
CAS Number: 4044-65-9
Molecular Formula: C₈H₄N₂S₂
Molecular Weight: 192.26100
Catalog: Chemical reagent Organic reagent Cyanate ester / isocyanate
Create Date: 2018-09-14 19:04:04
Modify Date: 2026-06-30 19:24:59
Bitoscanate (p-Phenylene diisothiocyanate) is an organic chemical compound used in the treatment of hookworms.

Name	1,4-phenylene diisothiocyanate
Synonyms	PDITC isothiocyanicacid,p-phenyleneester[qr] Bitoscanate: (1,4-Phenylenediisothiocyanic acid) 1,4-diisothiocyanatobenzene[qr] 1,4-Phenylenediisocyanate bitoscanatum(latin)[qr] 1,4-DIISOTHIOCYANATOBENZENE p-Phenylene diisothiocyanate(PDITC) BENZENE 1,4-DIISOTHIOCYANATE 1,4-Phenylene diisothiocyanate benzene,1,4-diisothiocyanato-[qr] BITOSCANATE 1,4-Diisothiocyanatobenzene Phenylene-1,4-diisothiocyanate, 1,4-Diisothiocyanatobenzene 1,4-Diisothiocyanatobenzol Phenylene thiocyanate 1,4-Phenylene diisothiocyate Bitoscanat phenylene-1,4-diisothiocyanate DITC, 1,4-Diisothiocyanatobenzene Bitoscanate isothiocyanicacidp-phenyleneester P-PHENYLENE DIISOTHIOCYANATE 4-Diisothiocyanatobenzene MFCD00004811 Isothiocyanic acid, 1,4-phenylenedi Isothiocyanic acid, p-phenylene ester J-4044 PHENYLENEDIISOTHIOCYANATE(1,4-) 1,4-Phenylendiisothiocyanate Bitoscanate, 10 mM in DMSO Jonit EINECS 223-741-3 1,4-Diisothiocyanatobenzene,Bitoscanate,PDITC phenylene-1,4-diisothiocyanate[qr] PDITC (Bitoscanate), Anthelmintic agent 1,4-phenylenedi-isothiocyanicaci Benzene 1,4-Diisothiocyanate 1,4-diisothiocyanato-benzen Benzene, 1,4-diisothiocyanato Phenylene 1,4-diisothiocyanate ai3-28258[qr] p-Phenylene diisothiocyanate, R 16842ddn)[qr] Benzene 1,4-Diisothiocyanate Bitoscanate 1,4-Diisothiocyanatobenzene 1,4-Diisothiocyanatobenzene, Bitoscanate, PDITC jonit[qr] p-Phenylene bis(isothiocyanate) wm842[qr] p-Phenylene diisothiocyanate\|\|\|Biscomate\|\|\|PDITC\|\|\|1,4-Diisothiocyanatobenzene Biscomate 1,4-PhenyleneDiisothiocyanate> bitoscanato[qr] 1,4-Phenylene Diisothiocyanate phenylenethiocyanate

Description	Bitoscanate (p-Phenylene diisothiocyanate) is an organic chemical compound used in the treatment of hookworms.
Related Catalog	Signaling Pathways >> Anti-infection >> Parasite Research Areas >> Infection
References	[1]. Gaitonde BB, et al. Clinical evaluation of a new anthelmintic; phenylene di-iso thiocyanate (Bitoscanate) in hookworm and roundworm infestation. J Trop Med Hyg. 1969 Oct;72(10):253-8.

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
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

75-15-0

100-01-6

~49%

4044-65-9

2131-61-5

Literature: Sun, Nan; Li, Bin; Shao, Jianping; Mo, Weimin; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan Beilstein Journal of Organic Chemistry, 2012 , vol. 8, p. 61 - 70

19972-69-1

~83%

4044-65-9

Literature: Garin, J.; Melendez, E.; Merchan, F.; Merino, P.; Tejero, T. Bulletin des Societes Chimiques Belges, 1989 , vol. 98, # 4 p. 289 - 290

75-15-0

106-50-3

4044-65-9

Literature: Phuong, Truong; Khac-Minh, Thai; Van Ha, Nguyen Thi; Ngoc Phuong, Huynh Thi Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 3 p. 653 - 656

108-24-7

4044-65-9

Literature: Bolser; Hartshorn Journal of the American Chemical Society, 1923 , vol. 45, p. 2351,2354

106-50-3

4044-65-9

Literature: van der Kerk et al. Recueil des Travaux Chimiques des Pays-Bas, 1955 , vol. 74, p. 1262,1266

463-71-8

106-50-3

4044-65-9

Literature: Abuzar,Syed; Sharma, Satyavan Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 3 p. 230 - 233

463-71-8

540-24-9

4044-65-9

Literature: Kristian,P. et al. Collection of Czechoslovak Chemical Communications, 1965 , vol. 30, p. 3658 - 3663

463-71-8

107167-58-8

17616-33-0

4044-65-9

Literature: Viswanathan, N.; Sidhaye, A. R. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986 , vol. 25, p. 659 - 660

463-71-8

67-66-3

106-50-3

4044-65-9

Literature: Billeter; Steiner Chemische Berichte, 1887 , vol. 20, p. 231

Precursor 7
75-15-0 100-01-6 19972-69-1 106-50-3
108-24-7 463-71-8 67-66-3
DownStream 4
35353-29-8 1519-70-6 26328-53-0 56041-34-0

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%

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