4-Methylpyrimidine

HCID 18922CAS 3438-46-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1ccncn1
InChIKey
LVILGAOSPDLNRM-UHFFFAOYSA-N
분자식
C5H6N2
평균 분자량
94.11 g/mol
단동위원소 질량
94.0530982

이름 및 식별자

우선 이름
4-Methylpyrimidine
IUPAC
4-methylpyrimidine
영어명
4-Methylpyrimidine
분자식
C5H6N2
분자량
94.11

이름 및 동의어

4-METHYLPYRIMIDINE3438-46-8Pyrimidine, 4-methyl-4-methyl-pyrimidineMFCD000061153D1R4OMX4NEINECS 222-344-24-Methylpyrimidine, 97%UNII-3D1R4OMX4NSCHEMBL12441SCHEMBL127453SCHEMBL205815
이름 더 보기
4-MP4-Methlpyrimidine6-METHYLPYRIMIDINE4-methyl-pyrimidin4-Methyl-1,3-diazinePyrimidine,4-methyl-4-Methylpyrimidine>4-Methylpyrimidine,98%4-METHYLPYRIMIDINE 97+%
SCHEMBL352893SCHEMBL413067orb3023390SCHEMBL2906033SCHEMBL9903148DTXSID5063027SCHEMBL11016162SCHEMBL29597429

데이터베이스 식별자

CAS
3438-46-8
PubChem CID
18922
DTXSID
DTXSID5063027
UNII
3D1R4OMX4N
EC Number
222-344-2
Nikkaji
J102.050A

물성

구조 계산 물성

XLogP
0.2
극성 표면적
25.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

Vapor Pressure4.63 [mmHg]
Physical DescriptionColorless liquid with an amine-like odor; [Evonik MSDS]
Kovats Retention Index · 3건

819；827；827

853

1328

물리화학적 성질

녹는점
32 °C · 32°C
끓는 점
141 · 141-142 °C (lit.)
밀도
1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.496(lit.)
인화점
105 °F · 105 °F
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

Light Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySee Pyrimidine.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

규제 정보

Regulatory Information4-Methylpyrimidine: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
HS 번호
29335995
risk_code
10-61
hazard_code
T,F,Xi

화학 및 산업

용도 및 제조

UsesUsed as an intermediate for organic syntheses; [Evonik MSDS]
General Manufacturing InformationPyrimidine, 4-methyl-: INACTIVE
응용 분야 · 2건

용도4-Methylpyrimidine was used in the synthesis of crystalline trans-[RuCl(3)(NO)L(2)] complexes. 4-Methylpyrimidine was also used to bridge dinuclear oxovanadium(IV) complexes.

일반 설명4-Methylpyrimidine is a fundamental nitrogen-containing aromatic heterocyclic scaffold unit, with only one methyl group (-CH₃) in its molecular structure. It can be used as a pharmaceutical intermediate in the preparation of potentially active anti-infective or anti-tumour compounds. Furthermore, it can also be utilised in the preparation of various heterocyclic compounds, such as pesticides and OLED materials.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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