CAS 105-11-3|p-Benzoquineone dioxime

Introduction：Basic information about CAS 105-11-3|p-Benzoquineone dioxime, 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
MUTATION DATA
4. Safety Information
5. Customs
6. Articles5
7. Synonyms

Common Name	p-Benzoquineone dioxime
CAS Number	105-11-3	Molecular Weight	138.124
Density	1.3±0.1 g/cm3	Boiling Point	303.0±42.0 °C at 760 mmHg
Molecular Formula	C₆H₆N₂O₂	Melting Point	243 °C (dec.)(lit.)
MSDS	USA	Flash Point	182.5±17.1 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	1,4-Benzoquinone Dioxime
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	303.0±42.0 °C at 760 mmHg
Melting Point	243 °C (dec.)(lit.)
Molecular Formula	C₆H₆N₂O₂
Molecular Weight	138.124
Flash Point	182.5±17.1 °C
Exact Mass	138.042923
PSA	65.18000
LogP	1.89
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.594
InChIKey	DZCCLNYLUGNUKQ-UHFFFAOYSA-N
SMILES	O=Nc1ccc(NO)cc1
Storage condition	-20°C
Stability	Stable. Incompatible with strong acids, strong oxidizing agents.
Water Solubility	<0.01 g/100 mL at 22.5 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DK4900000

CHEMICAL NAME :: p-Benzoquinone, dioxime

CAS REGISTRY NUMBER :: 105-11-3

BEILSTEIN REFERENCE NO. :: 2043234

LAST UPDATED :: 199701

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C6-H6-N2-O2

MOLECULAR WEIGHT :: 138.14

WISWESSER LINE NOTATION :: L6Y DYJ AUNQ DUNQ

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 :: 464 mg/kg

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1420 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1456 mg/kg/35W-I

TOXIC EFFECTS :: Behavioral - alteration of classical conditioning Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 131 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :: Mutation in mammalian somatic cells

TEST SYSTEM :: Rodent - mouse Lymphocyte

DOSE/DURATION :: 25 mg/L

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 12,85,1988 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 29,185,1982 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 29,185,1982 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81967 No. of Facilities: 45 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 732 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81967 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 1811 (estimated) No. of Female Employees: 17 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn:Harmful;
Risk Phrases	R22;R40
Safety Phrases	S45-S36/37
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	DK4900000
HS Code	2942000000

Customs

HS Code	2928000090
Summary	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

Articles5

In vivo genotoxicity studies with p-benzoquinone dioxime.

Environ. Mol. Mutagen. 19(1) , 71-6, (1992)

P-Benzoquinone dioxime (BQD) appears to be a sex-specific rat carcinogen inducing tumours of the urinary bladder in female rats. The present paper shows that BQD is a direct-acting mutagen in Salmonel...

para-Benzoquinone dioxime.

IARC Monogr. Eval. Carcinog. Risk Chem. Hum. 29 , 185-91, (1982)

1,4-Benzoquinone dioxime.

IARC Monogr. Eval. Carcinog. Risks Hum. 71 Pt 3 , 1251-4, (1999)

Synonyms

(1Z,4Z)-N,N'-Dihydroxy-2,5-cyclohexadiene-1,4-diimine

2,5-Cyclohexadiene-1,4-dione, dioxime, (1Z,4Z)-

p-Quinone dioxime (p-Benzoquinone dioxime)

p-Quinone Dioxime

(1Z,4Z)-N,N'-Dihydroxycyclohexa-2,5-diene-1,4-diimine

2,5-Cyclohexadiene-1,4-dione, dioxime, (1E,4E)-

1,4-Benzoquinone dioxime

N-(4-nitrosophenyl)hydroxylamine

p-Benzoquineone dioxime

(1E,4E)-N,N'-Dihydroxy-2,5-cyclohexadiene-1,4-diimine

(1E,4E)-N,N'-Dihydroxycyclohexa-2,5-diene-1,4-diimine

p-Benzoquinonedioxime

EINECS 203-271-5

MFCD00063636

p-Benzoquinone dioxime

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