4,6-Dimethylpyrimidine

HCID 15257

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1558-17-4
표준 SMILES: Cc1cc(C)ncn1
InChIKey: LSBIUXKNVUBKRI-UHFFFAOYSA-N
분자식: C6H8N2
평균 분자량: 108.14 g/mol
단동위원소 질량: 108.06874826

이름 및 식별자

우선 이름: 4,6-Dimethylpyrimidine
IUPAC: 4,6-dimethylpyrimidine
영어명: 4,6-DIMETHYLPYRIMIDINE
분자식: C6H8N2
분자량: 108.14

이름 및 동의어

4,6-DIMETHYLPYRIMIDINE1558-17-4Pyrimidine, 4,6-dimethyl-UNII-95N99D3VHB95N99D3VHBEINECS 216-314-8NSC 60686NSC-60686DTXSID2061777RefChem:96673DTXCID7035012216-314-8

이름 더 보기

Pyrimidine,4,6-dimethyl-4,6-dimethyl-pyrimidinDimethylpyrimidinetech4,6-Dimethylpyrimidine>4,6-DIMETHYLPYRIMIDINE 95+%4,6-DIMETHYLPYRIMIDINE (98%)4,6-DIMETHYLPYRIMIDINE (97%)4,6-Dimethylpyrimidine,93%,tech.

InChI=1/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2HLSBIUXKNVUBKRI-UHFFFAOYSA-N4,6-Dimethyl-pyrimidineMFCD00006116NSC606864,6-dimethyl-pyrmidineSCHEMBL161508SCHEMBL353236

데이터베이스 식별자

CAS: 1558-17-4
PubChem CID: 15257
DTXSID: DTXSID2061777
UNII: 95N99D3VHB
EC Number: 216-314-8
Nikkaji: J110.359H

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 64.9

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.62

물리화학적 성질

녹는점: 25 °C · 25°C
끓는 점: 154 °C · 154 °C (lit.)
밀도: 0.98 g/mL · 0.98 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.490(lit.)
인화점: 115 °F · 115 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 3.04 · 3.04±0.17(Predicted)
Specific Gravity: 0.98 · 0.98
색상: 맑은 노란색
수용성: 20 °C에서 · 20°C에서 물에 용해됩니다.
BRN: 107068 · 107068
InChI: 1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3
InChIKey: LSBIUXKNVUBKRI-UHFFFAOYSA-N
SMILES: Cc1cc(C)ncn1
NIST: 4 · Pyrimidine, 4,6-dimethyl-(1558-17-4)
EPA: 4 · Pyrimidine, 4,6-dimethyl- (1558-17-4)

화학적 성질

clear yellowish liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29335990
risk_code: 10
safety_code: 23-24/25-16
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPyrimidine, 4,6-dimethyl-: INACTIVE

응용 분야

용도4,6-Dimethylpyrimidine is used to produce (6-methyl-pyrimidin-4-yl)-pyruvic acid ethyl ester. It is used as pharmaceutical intermediate. It is also used in agrochemical and dyestuff field.