6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

Modify Date: 2026-07-08 19:21:02

6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one structure	Common Name	6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one
	CAS Number	21440-97-1	Molecular Weight	256.096
	Density	1.5±0.1 g/cm3	Boiling Point	269.8±40.0 °C at 760 mmHg
	Molecular Formula	C₁₀H₁₀BrNO₂	Melting Point	203-205ºC
	MSDS	N/A	Flash Point	117.0±27.3 °C

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

Name	6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one
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	1.5±0.1 g/cm3
Boiling Point	269.8±40.0 °C at 760 mmHg
Melting Point	203-205ºC
Molecular Formula	C₁₀H₁₀BrNO₂
Molecular Weight	256.096
Flash Point	117.0±27.3 °C
Exact Mass	254.989487
PSA	38.33000
LogP	3.72
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.554
InChIKey	JRXGULDSFFLUAO-UHFFFAOYSA-N
SMILES	CC1(C)OC(=O)Nc2ccc(Br)cc21
Storage condition	2-8°C

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

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: Brofoxine
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:Brofoxine
CAS number:21440-97-1

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C10H10BrNO2
Molecular weight:256.1

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM3679200

CHEMICAL NAME :: 4H-3,1-Benzoxazin-2-one, 1,2-dihydro-6-bromo-4,4-dimethyl-

CAS REGISTRY NUMBER :: 21440-97-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H10-Br-N-O2

MOLECULAR WEIGHT :: 256.12

WISWESSER LINE NOTATION :: T66 BMVO EHJ EE HE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 980 mg/kg

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

REFERENCE :: EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 25,787,1969

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

Hazard Codes	Xi: Irritant;
HS Code	2934999090

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

N,N-Carbonyldii...

CAS#:530-62-1

2-(2-AMINO-5-BR...

CAS#:304853-89-2

~99%

6-Bromo-4,4-dim...

CAS#:21440-97-1

Learn More

Literature: American Home Products Corporation Patent: US2002/68735 A1, 2002 ; US 20020068735 A1

Methyl 2-amino-...

CAS#:52727-57-8

6-Bromo-4,4-dim...

CAS#:21440-97-1

Learn More

Literature: Journal of Medicinal Chemistry, , vol. 48, # 16 p. 5092 - 5095

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

Precursor 3
CAS#:530-62-1 N,N-Carbonyldii... CAS#:304853-89-2 2-(2-AMINO-5-BR... CAS#:52727-57-8 Methyl 2-amino-...
DownStream 10
CAS#:304854-45-3 6-(3-CHLORO-4-F... CAS#:304854-37-3 6-(2-CHLOROPHEN... CAS#:304854-07-7 5-(4,4-DIMETHYL... CAS#:304853-30-3 3-(4,4-DIMETHYL...
CAS#:304854-36-2 6-(3-METHOXYPHE... CAS#:304854-09-9 6-(3-CHLORO-5-F... CAS#:304854-26-0 6-(3-FLUOROPHEN... CAS#:304853-90-5 Boronic acid, (...
CAS#:304853-28-9 6-(3-CHLOROPHEN... CAS#:304853-34-7 6-BROMO-4,4-DIM...

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

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve...
Source: NCGC
Target: N/A
External Id: OBG420

Total 195, Current Page 1 of 20

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

6-Bromo-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one

Brofoxinum [INN-Latin]

EINECS 244-389-7

6-Bromo-1,4-dihydro-4,4-dimethyl-1,3-benzo[d]oxazin-2-one

Brofossina [DCIT]

Brofoxina

6-bromo-4,4-dimethyl-1,4-dihydro-2H-[d][3,1]-benzoxazin-2-one

6-Bromo-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

Dimethabrone

MFCD00866701

Brofoxina [INN-Spanish]

F.I. 6820

6-bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

brofoxine

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

Q: What is the molecular formula of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: Molecular formula of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is C10H10BrNO2.

Q: What is the melting point of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: Melting point of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is 203-205ºC.

Q: What is the boiling point of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: Boiling point of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is 269.8±40.0 °C at 760 mmHg.

Q: What is the SMILES notation of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: SMILES notation of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is CC1(C)OC(=O)Nc2ccc(Br)cc21.

Q: What is the LogP of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: LogP of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is 3.72.

Q: What is the polar surface area (PSA) of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: Polar surface area (PSA) of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is 38.33000.

Q: What are the storage conditions for 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: Storage conditions for 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one: 2-8°C.

Q: What is the CAS number of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: CAS number of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is 21440-97-1.

Q: What are the downstream products of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: Related downstream products(CAS) of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one: 304854-45-3;304854-37-3;304854-07-7;304853-30-3;304854-36-2;304854-09-9;304854-26-0;304853-90-5;304853-28-9;304853-34-7.

Q: What is the InChIKey of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one?

A: InChIKey of 6-bromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one is JRXGULDSFFLUAO-UHFFFAOYSA-N.

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

Shanghai Nianxing Industrial Co., Ltd

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

6-Bromo-4,4-dimethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Bioassay

Synonyms

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.