2,5-Cyclohexadiene-1,4-dione, 2-bromo-, 1-oxime

Modify Date: 2026-08-03 18:05:26

2,5-Cyclohexadiene-1,4-dione, 2-bromo-, 1-oxime structure	Common Name	2,5-Cyclohexadiene-1,4-dione, 2-bromo-, 1-oxime
	CAS Number	13362-38-4	Molecular Weight	202.00500
	Density	1.79g/cm3	Boiling Point	334.2ºC at 760 mmHg
	Molecular Formula	C₆H₄BrNO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	155.9ºC

Summary: 3-Bromo-4-nitrosophenol (also known as 2,5-Cyclohexadiene-1,4-dione, 2-bromo-, 1-oxime, CAS号：13362-38-4, molecular formula: C6H4BrNO2, molecular weight: 202.00500), with a density of 1.79g/cm³ and boiling point of 334.2℃. For research-use only, not for medical or clinical usage.

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

Name	3-bromo-4-nitrosophenol
Synonym	More Synonyms

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

Density	1.79g/cm3
Boiling Point	334.2ºC at 760 mmHg
Molecular Formula	C₆H₄BrNO₂
Molecular Weight	202.00500
Flash Point	155.9ºC
Exact Mass	200.94300
PSA	49.66000
LogP	1.23430
Vapour Pressure	6.71E-05mmHg at 25°C
Index of Refraction	1.63
InChIKey	ORVHTCOFHGULQZ-UHFFFAOYSA-N
SMILES	O=Nc1ccc(O)cc1Br

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU5427000

CHEMICAL NAME :: 2,5-Cyclohexadien-1-one, 3-bromo-4-hydroxyimino-

CAS REGISTRY NUMBER :: 13362-38-4

BEILSTEIN REFERENCE NO. :: 1939365

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H4-Br-N-O2

MOLECULAR WEIGHT :: 202.02

WISWESSER LINE NOTATION :: L6V DYJ CE DUNQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1090 mg/kg

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

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: 21,11,1978

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

HS Code	2928000090

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

Precursor 8
CAS#:14348-41-5 3-Bromo-4-hydro... CAS#:591-20-8 3-Bromophenol CAS#:634603-83-1 3-bromo-4-nitro... CAS#:857725-94-1 3-bromo-N,N-dim...
CAS#:64-17-5 Ethanol CAS#:71-43-2 benzene CAS#:7664-93-9 Sulfuric acid CAS#:64-19-7 acetic acid
DownStream 1
CAS#:5470-65-5 3-Bromo-4-nitro...

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

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%

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

Name: Antitumor activity against mouse Sarcoma 180 cells allografted in Swiss mouse assesse...
Source: ChEMBL
Target: Sarcoma-180
External Id: CHEMBL3283158

Name: Antitumor activity against mouse Sarcoma 180 cells allografted in Swiss mouse at 150 ...
Source: ChEMBL
Target: Sarcoma-180
External Id: CHEMBL3283173

Name: Antitumor activity against mouse Sarcoma 180 cells allografted in Swiss mouse assesse...
Source: ChEMBL
Target: Sarcoma-180
External Id: CHEMBL3284028

Name: Acute toxicity in single ip dosed Swiss mouse assessed as death up to 5 days
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL3283731

Name: Antitumor activity against mouse Sarcoma 180 cells allografted in Swiss mouse assesse...
Source: ChEMBL
Target: Sarcoma-180
External Id: CHEMBL3284014

Name: Redox potential of the compound in octanol-water solution
Source: ChEMBL
Target: N/A
External Id: CHEMBL3283457

Name: Antitumor activity against mouse Sarcoma 180 cells allografted in Swiss mouse assesse...
Source: ChEMBL
Target: Sarcoma-180
External Id: CHEMBL3283737

Total 7, Current Page 1 of 1

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

2,5-Cyclohexadiene-1,4-dione,2-bromo-,1-oxime

Brom-[1,4]benzochinon-1-oxim

2,5-Cyclohexadien-1-one,3-bromo-4-hydroxyimino

p-Benzoquinone,bromo-,1-oxime

3-Brom-benzochinon-4-oxim

bromo-[1,4]benzoquinone-1-oxime

2-Brom-p-benzochinon-monoxim

2,3-bromo-4-hydroxyimino

2-Brom-p-chinon-oxim-(1)

3-Bromo-4-hydroxyimino-2,5-cyclohexadiene-1-one

3-Brom-benzochinon-(1,4)-mono-oxim-(4)

2-bromo-p-quinone monooxime

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

Q: What is the Chinese name of 13362-38-4?

A: Chinese name of 13362-38-4 is 13362-38-4.

Q: What is the molecular formula of 3-bromo-4-nitrosophenol?

A: Molecular formula of 3-bromo-4-nitrosophenol is C6H4BrNO2.

Q: What is the LogP of 3-bromo-4-nitrosophenol?

A: LogP of 3-bromo-4-nitrosophenol is 1.23430.

Q: What English synonyms does 3-bromo-4-nitrosophenol have?

A: English synonyms of 3-bromo-4-nitrosophenol: 2,5-Cyclohexadiene-1,4-dione,2-bromo-,1-oxime, Brom-[1,4]benzochinon-1-oxim, 2,5-Cyclohexadien-1-one,3-bromo-4-hydroxyimino, p-Benzoquinone,bromo-,1-oxime, 3-Brom-benzochinon-4-oxim, bromo-[1,4]benzoquinone-1-oxime, 2-Brom-p-benzochinon-monoxim, 2,3-bromo-4-hydroxyimino, 2-Brom-p-chinon-oxim-(1), 3-Bromo-4-hydroxyimino-2,5-cyclohexadiene-1-one, 3-Brom-benzochinon-(1,4)-mono-oxim-(4), 2-bromo-p-quinone monooxime.

Q: What is the SMILES notation of 3-bromo-4-nitrosophenol?

A: SMILES notation of 3-bromo-4-nitrosophenol is O=Nc1ccc(O)cc1Br.

Q: What is the English name of 3-bromo-4-nitrosophenol?

A: The English name of 3-bromo-4-nitrosophenol is 3-bromo-4-nitrosophenol.

Q: What are the upstream materials of 3-bromo-4-nitrosophenol?

A: Related upstream materials(CAS) of 3-bromo-4-nitrosophenol: 14348-41-5;591-20-8;634603-83-1;857725-94-1;64-17-5;71-43-2;7664-93-9;64-19-7.

Q: What is the molecular weight of 3-bromo-4-nitrosophenol?

A: Molecular weight of 3-bromo-4-nitrosophenol is 202.00500.

Q: What is the boiling point of 3-bromo-4-nitrosophenol?

A: Boiling point of 3-bromo-4-nitrosophenol is 334.2ºC at 760 mmHg.

Q: What is the InChIKey of 3-bromo-4-nitrosophenol?

A: InChIKey of 3-bromo-4-nitrosophenol is ORVHTCOFHGULQZ-UHFFFAOYSA-N.

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

Dayang Chem (Hangzhou) Co., Ltd.

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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2,5-Cyclohexadiene-1,4-dione, 2-bromo-, 1-oxime
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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