Pyrimidine, 2,4-dichloro-5-methyl- (HCID 74508)

이름 및 식별자

우선 이름: Pyrimidine, 2,4-dichloro-5-methyl-
IUPAC: 2,4-dichloro-5-methylpyrimidine
영어명: 2,4-Dichloro-5-methylpyrimidine
분자식: C5H4Cl2N2
분자량: 163

이름 및 동의어

2,4-Dichloro-5-methylpyrimidine1780-31-0Pyrimidine, 2,4-dichloro-5-methyl-5-Methyl-2,4-dichloropyrimidineEINECS 217-227-8NSC 37532DTXSID9061962RefChem:870923DTXCID0035661217-227-82,4-dichloro-5-methyl-pyrimidineMFCD00023197

이름 더 보기

4-Dichloro-5-MethylpyriMidineToxic,stench2,4-Dichloro-5-2,4-Dichloro-5-methyDichloro-5-MethylpyriMid2,4-Dichloro-5-Methylpyri...2,4-dichloro-5-methyl-pyrimidin

2,4-dichloro-5-methyl pyrimidine2, 4-Dichloro-5-methylpyrimidineG2W3V2TE7SNSC-37532NSC37532UNII-G2W3V2TE7SSCHEMBL561922,4 dichloro5-methylpyrimidine

데이터베이스 식별자

CAS: 1780-31-0
PubChem CID: 74508
DTXSID: DTXSID9061962
UNII: G2W3V2TE7S
EC Number: 217-227-8
Nikkaji: J203.177I

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 26 · 26-28 °C (lit.)
끓는 점: 108 · 108-109 °C/11 mmHg (lit.)
밀도: 1.39 g/mL · 1.39 g/mL at 25 °C (lit.)
굴절률: 1.63 · 1.6300 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름, 에테르, 에틸 아세테이트 및 톨루엔에 용해됨
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): -2.44 · -2.44±0.29(Predicted)
색상: White or Colorless to Almost white or Almost colorless
InChI: InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey: DQXNTSXKIUZJJS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(C)C(Cl)=N1
EPA: 2 · Pyrimidine, 2,4-dichloro-5-methyl- (1780-31-0)

화학적 성질

White to Off White Low Melting Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (92.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (92.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29335990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationPyrimidine, 2,4-dichloro-5-methyl-: ACTIVE

응용 분야 · 1건

용도2,4-Dichloro-5-methylpyrimidine, is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine. It can react with piperidineto produce 2-chloro-5-methyl-4-piperidin-1-yl-pyrimidine. This reaction will need solvent dioxane.