p-Phenylene diisothiocyanate

Modify Date: 2026-06-30 19:24:59

p-Phenylene diisothiocyanate structure	Common Name	p-Phenylene diisothiocyanate
	CAS Number	4044-65-9	Molecular Weight	192.26100
	Density	1.2g/cm3	Boiling Point	339.4ºC at 760 mmHg
	Molecular Formula	C₈H₄N₂S₂	Melting Point	129-131 °C(lit.)
	MSDS	Chinese USA	Flash Point	167.2ºC
	Symbol	GHS06, GHS08	Signal Word	Danger

Use of p-Phenylene diisothiocyanate

Bitoscanate (p-Phenylene diisothiocyanate) is an organic chemical compound used in the treatment of hookworms.

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	1,4-phenylene diisothiocyanate
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

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.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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
InChIKey	OMWQUXGVXQELIX-UHFFFAOYSA-N
SMILES	S=C=Nc1ccc(N=C=S)cc1
Storage condition	−20°C
Water Solubility	chloroform: clear

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

p-Phenylene diisothiocyanate MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Carbon disulphide

CAS#:75-15-0

4-Nitroaniline

CAS#:100-01-6

~49%

p-Phenylene dii...

CAS#:4044-65-9

4-Nitrophenyl i...

CAS#:2131-61-5

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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

methyl N-[4-(me...

CAS#:19972-69-1

~83%

p-Phenylene dii...

CAS#:4044-65-9

Learn More

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

Carbon disulphide

CAS#:75-15-0

p-Phenylenediamine

CAS#:106-50-3

p-Phenylene dii...

CAS#:4044-65-9

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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

Ethanoic anhydride

CAS#:108-24-7

p-Phenylene dii...

CAS#:4044-65-9

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

p-Phenylenediamine

CAS#:106-50-3

p-Phenylene dii...

CAS#:4044-65-9

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

Thiophosgene

CAS#:463-71-8

p-Phenylenediamine

CAS#:106-50-3

p-Phenylene dii...

CAS#:4044-65-9

Learn More

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

Thiophosgene

CAS#:463-71-8

p-phenylenediam...

CAS#:540-24-9

p-Phenylene dii...

CAS#:4044-65-9

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

Thiophosgene

CAS#:463-71-8

N/A

CAS#:107167-58-8

N/A

CAS#:17616-33-0

p-Phenylene dii...

CAS#:4044-65-9

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

Thiophosgene

CAS#:463-71-8

Chloroform

CAS#:67-66-3

p-Phenylenediamine

CAS#:106-50-3

p-Phenylene dii...

CAS#:4044-65-9

Learn More

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

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 7
CAS#:75-15-0 Carbon disulphide CAS#:100-01-6 4-Nitroaniline CAS#:19972-69-1 methyl N-[4-(me... CAS#:106-50-3 p-Phenylenediamine
CAS#:108-24-7 Ethanoic anhydride CAS#:463-71-8 Thiophosgene CAS#:67-66-3 Chloroform
DownStream 4
CAS#:35353-29-8 1-N,4-N-bis(1,3... CAS#:1519-70-6 1,4-Phenylenebi... CAS#:26328-53-0 Amoscanate CAS#:56041-34-0 4-phenyl-3-pyri...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

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)

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: insulin secretion from INS-1E cells in the presence of 5 mM glucose-screen
Source: 846
Target: N/A
External Id: 5mMGluc_INS1E_InsulinRelease_40mMGluc_SP

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signa...
Source: 824
Target: AR protein [Homo sapiens]
External Id: MDAN535

Name: Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu...
Source: NCGC
External Id: CYP3A4437

Name: VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area decrease-IC50
Source: 846
Target: N/A
External Id: VEGF_ADSC_ECFC_Angio_CD31_TubeArea_CRC

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100

Name: Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2D6395

Name: GSK3B-pretreated HCT116 viability from Cell TiterGlo-screen
Source: 846
Target: N/A
External Id: GSK3b_inh_pretreated_Viability_ATP_HCT116_SP

Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101

Name: qHTS assay to identify small molecule antagonists of the androgen receptor (AR) sign...
Source: 824
Target: N/A
External Id: MDAV150

Name: Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu...
Source: NCGC
External Id: CYP2C9536

Total 92, Current Page 1 of 10

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the uses of 1,4-phenylene diisothiocyanate?

A: Main uses of 1,4-phenylene diisothiocyanate: Bitoscanate (p-Phenylene diisothiocyanate) is an organic chemical compound used in the treatment of hookworms.

Q: What are the downstream products of 1,4-phenylene diisothiocyanate?

A: Related downstream products(CAS) of 1,4-phenylene diisothiocyanate: 35353-29-8;1519-70-6;26328-53-0;56041-34-0.

Q: How is the water solubility of 1,4-phenylene diisothiocyanate?

A: Water solubility of 1,4-phenylene diisothiocyanate: chloroform: clear.

Q: What is the SMILES notation of 1,4-phenylene diisothiocyanate?

A: SMILES notation of 1,4-phenylene diisothiocyanate is S=C=Nc1ccc(N=C=S)cc1.

Q: What is the molecular formula of 1,4-phenylene diisothiocyanate?

A: Molecular formula of 1,4-phenylene diisothiocyanate is C8H4N2S2.

Q: What are the upstream materials of 1,4-phenylene diisothiocyanate?

A: Related upstream materials(CAS) of 1,4-phenylene diisothiocyanate: 75-15-0;100-01-6;19972-69-1;106-50-3;108-24-7;463-71-8;67-66-3.

Q: What is the CAS number of 1,4-phenylene diisothiocyanate?

A: CAS number of 1,4-phenylene diisothiocyanate is 4044-65-9.

Q: What is the polar surface area (PSA) of 1,4-phenylene diisothiocyanate?

A: Polar surface area (PSA) of 1,4-phenylene diisothiocyanate is 88.90000.

Q: What is the molecular weight of 1,4-phenylene diisothiocyanate?

A: Molecular weight of 1,4-phenylene diisothiocyanate is 192.26100.

Q: What is the InChIKey of 1,4-phenylene diisothiocyanate?

A: InChIKey of 1,4-phenylene diisothiocyanate is OMWQUXGVXQELIX-UHFFFAOYSA-N.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: p-Phenylene diisothiocyanate
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1,4-phenylene diisothiocyanate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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Price: $66/10mM*1mLinDMSO

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p-Phenylene diisothiocyanate

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