5791-00-4

5791-00-4结构式

常用中文名：6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮
常用英文名：6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
CAS号：5791-00-4
分子式：C₉H₈ClNO₂
分子量：197.61800
发布时间：2016-06-04 22:15:31
更新时间：2024-02-25 01:47:59

中文名	6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮
英文名	6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
英文别名	6-CHLORO-2-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE 2-methyl-3-oxo-6-chloro-2,3-dihydro-1,4-benzoxazine 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one 6-chloro-2-methyl-4H-benzo[1,4]oxazin-3-one 6-Chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-3-one 6-chloro-3,4-dihydro-2-methyl-3-oxo-2H-1,4-benzoxazine 4H-1,4-BENZOXAZIN-3-ONE,2,3-DIHYDRO-6-CHLORO-2-METHYL

密度	1.302g/cm3
沸点	356.9ºC at 760 mmHg
熔点	174 °C
分子式	C₉H₈ClNO₂
分子量	197.61800
闪点	169.6ºC
精确质量	197.02400
PSA	41.82000
LogP	2.14450
外观性状	固体;White to Light yellow to Light orange powder to crystal
折射率	1.552
储存条件	室温，干燥

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
Synonyms:

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

H302:Harmful if swallowed
H411:Toxic to aquatic life with long lasting effects
P273:Avoid release to the environment

Section3. Composition/information on ingredients.
Ingredient name:6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
CAS number:5791-00-4

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.
Storage:Store in closed vessels, refrigerated.

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
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C9H8ClNO2
Molecular weight: 197.6

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 chloride.

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM3750000

CHEMICAL NAME :: 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-6-chloro-2-methyl-

CAS REGISTRY NUMBER :: 5791-00-4

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H7-Cl-N-O2

MOLECULAR WEIGHT :: 196.62

WISWESSER LINE NOTATION :: T66 BMV EO DHJ D1 IG

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 :: 850 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,37,1975