CAS 117-80-6|2,3-Dichlor-1,4-naphthochinone

Introduction：Basic information about CAS 117-80-6|2,3-Dichlor-1,4-naphthochinone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles29
7. Synonyms

Common Name	2,3-Dichlor-1,4-naphthochinone
CAS Number	117-80-6	Molecular Weight	227.044
Density	1.5±0.1 g/cm3	Boiling Point	304.0±42.0 °C at 760 mmHg
Molecular Formula	C₁₀H₄Cl₂O₂	Melting Point	194-197 °C(lit.)
MSDS	ChineseUSA	Flash Point	127.5±28.5 °C
Symbol	GHS07, GHS09	Signal Word	Warning

Names

Name	dichlone
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	304.0±42.0 °C at 760 mmHg
Melting Point	194-197 °C(lit.)
Molecular Formula	C₁₀H₄Cl₂O₂
Molecular Weight	227.044
Flash Point	127.5±28.5 °C
Exact Mass	225.958832
PSA	34.14000
LogP	2.35
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.634
InChIKey	SVPKNMBRVBMTLB-UHFFFAOYSA-N
SMILES	O=C1C(Cl)=C(Cl)C(=O)c2ccccc21
Water Solubility	0.008 g/L

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QL7525000

CHEMICAL NAME :: 1,4-Naphthoquinone, 2,3-dichloro-

CAS REGISTRY NUMBER :: 117-80-6

LAST UPDATED :: 199710

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C10-H4-Cl2-O2

MOLECULAR WEIGHT :: 227.04

WISWESSER LINE NOTATION :: L66 BV EVJ CG DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 16(5),52,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 440 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,47,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,570,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JFAN "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc. of Chemistry, 1983-86 Volume(issue)/page/year: A137,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6 gm/kg/60D-C

TOXIC EFFECTS :: Liver - other changes Biochemical - Metabolism (Intermediary) - glycolytic

REFERENCE :: BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 35,23,1985

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg/10D-I

TOXIC EFFECTS :: Liver - other changes Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 16(5),52,1972

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1300 mg/kg/13W-I

TOXIC EFFECTS :: Liver - other changes Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 16(5),52,1972 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3300 mg/kg/78W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - tumors

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 22 mg/kg

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - tumors

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3 JAN 1993

Safety Information

Symbol	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H302-H315-H319-H410
Precautionary Statements	P273-P305 + P351 + P338-P501
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn:Harmful;N:Dangerousfortheenvironment;
Risk Phrases	R22;R36/38;R50/53
Safety Phrases	S26-S60-S61
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	QL7525000
Packaging Group	III
Hazard Class	6.1
HS Code	29147090

Customs

HS Code	2914700012
Summary	2914700012 2,3-dichloronaphthalene-1,4-dione。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:5.5%。general tariff:30.0%

Articles29

Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors.

J. Med. Chem. 51 , 1706-18, (2008)

Indoleamine 2,3-dioxygenase (IDO) is emerging as an important new therapeutic target for the treatment of cancer, chronic viral infections, and other diseases characterized by pathological immune supp...

The 1,4-naphthoquinone scaffold in the design of cysteine protease inhibitors.

Bioorg. Med. Chem. 15 , 5340-50, (2007)

A series of 1,4-naphthoquinone derivatives diversely substituted at C-2, C-3, C-5 and C-8, prepared by reaction of amines, amino acids and alcohols with commercial 1,4-naphthoquinones, has been evalua...

Modulation of hepatic cytochrome P-450 and DT-diaphorase by oral and sub-cutaneous administration of the pro-oxidant fungicide dichlone (2,3-dichloro-1,4-naphthoquinone).

Bull. Environ. Contam. Toxicol. 41(2) , 164-71, (1988)

Synonyms

2,3-Dichlor-1,4-naphthochinone

1,4-Naphthalenedione, 2,3-dichloro-

2,3-dichloro-1,4-dihydronaphthalene-1,4-dione

2,3-dichloronaphthalene-1,4-dione

EINECS 204-210-5

MFCD00001677

2,3-Dichloro-1,4-naphthoquinone

2,3-dichloro-1,4-naphthalenedione

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