5418-94-0

5418-94-0结构式

常用中文名：2-氯-4H-吡啶并[1,2-a]嘧啶-4-酮
常用英文名：2-Chloro-4H-pyrido[1,2-a]pyrimidin-4-one
CAS号：5418-94-0
分子式：C₈H₅ClN₂O
分子量：180.59100
相关类别：医药中间体杂环化合物嘧啶类化合物酮类
发布时间：2018-08-01 18:42:13
更新时间：2024-01-08 13:21:06

中文名	2-氯-4H-吡啶并[1,2-a]嘧啶-4-酮
英文名	2-chloropyrido[1,2-a]pyrimidin-4-one
英文别名	2-Chlor-4H-pyrido<1,2-a>pyrimidin-4-on WLN: T66NV EMJ DG 2-cloro-4H-pirido<pirimidin-4-one 2-chloro-4H-pyrido<pyrimidin-4-one

密度	1.42g/cm3
沸点	287ºC at 760mmHg
分子式	C₈H₅ClN₂O
分子量	180.59100
闪点	127.3ºC
精确质量	180.00900
PSA	34.37000
LogP	1.34790
折射率	1.662
储存条件	2-8°C，惰性气体

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 2-Chloro-4h-pyrido[1,2-a]pyrimidin-4-one
Synonyms:

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

Section3. Composition/information on ingredients.
Ingredient name:2-Chloro-4h-pyrido[1,2-a]pyrimidin-4-one
CAS number:5418-94-0

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:C8H5ClN2O
Molecular weight:180.6

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 :: UV1162000

CHEMICAL NAME :: 4H-Pyrido(1,2-a)pyrimidin-4-one, 2-chloro-

CAS REGISTRY NUMBER :: 5418-94-0

BEILSTEIN REFERENCE NO. :: 0128192

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H5-Cl-N2-O

MOLECULAR WEIGHT :: 180.60

WISWESSER LINE NOTATION :: T66NV EMJ DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03330

危害码 (欧洲)	Xn
海关编码	2933990090

27420-41-3

~88%

5418-94-0

文献：Abass, Mohamed; Mayas, Aisha S. Heteroatom Chemistry, 2007 , vol. 18, # 1 p. 19 - 27

22288-66-0

5418-94-0

文献：Journal of the Chemical Society, , p. 209 Journal of the American Chemical Society, , vol. 74, p. 4910

504-29-0

5418-94-0

文献：Journal of Heterocyclic Chemistry, , vol. 24, p. 329 - 335

138305-21-2

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文献：WO2014/36022 A1, ;

111680-69-4

~9%

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111680-80-9

文献：Journal of Heterocyclic Chemistry, , vol. 24, p. 329 - 335

237742-94-8

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文献：Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 6 p. 1087 - 1094

84292-17-1

5418-94-0

文献：Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 6 p. 1087 - 1094

123419-89-6

5418-94-0

文献：Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 6 p. 1087 - 1094

22288-66-0

10025-87-3

5418-94-0

文献：Journal of the Chemical Society, , p. 209 Journal of the American Chemical Society, , vol. 74, p. 4910

上游产品 8
27420-41-3 22288-66-0 504-29-0 138305-21-2
111680-69-4 237742-94-8 84292-17-1 10025-87-3
下游产品 7
16054-93-6 33345-96-9 17326-31-7 17481-62-8
23443-10-9 55395-30-7 61838-56-0

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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