2-Chloro-5-fluoropyrimidine (HCID 583466)

이름 및 식별자

우선 이름: 2-Chloro-5-fluoropyrimidine
IUPAC: 2-chloro-5-fluoropyrimidine
영어명: 2-Chloro-5-fluoropyrimidine
분자식: C4H2ClFN2
분자량: 132.52

이름 및 동의어

2-Chloro-5-fluoropyrimidine62802-42-0DTXSID20342636RefChem:469341DTXCID80293716626-211-32-Chloro-5-fluoro-pyrimidinePYRIMIDINE, 2-CHLORO-5-FLUORO-5-Fluoro-2-chloropyrimidineMFCD037881972-Chloro-5-fluoro pyrimidineKK43K2RZ9W

이름 더 보기

2-Chloro-5-fluoropyrFampridine Impurity 2132-Chloro-5-fluoropyriMidi...Pyrimidine,2-chloro-5-fluoro-2-Chloro-5-fluoro-1,3-diazine2-Chloro-5-fluoropyrimidine >2-Chloro-5-fluoropyrimidine ,98%Pyrimidine, 2-chloro-5-fluoro- (9CI)2-Chloro-5-fluoropyrimidine ISO 9001：2015 REACH

SCHEMBL1527372-Chloro-5-fluoropyrimidine #SCHEMBL1927623ALBB-037876CS-D17832-Chloro-5-fluoropyrimidine, 97%SBB085824AKOS005263912

데이터베이스 식별자

CAS: 62802-42-0
PubChem CID: 583466
DTXSID: DTXSID20342636
UNII: KK43K2RZ9W
EC Number: 626-211-3
Nikkaji: J526.193G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.4

물리화학적 성질

끓는 점: 149 · 149.0-162.0°C
밀도: 1.439 g/mL · 1.439 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.503(lit.)
인화점: 150 °F · 150 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
산도 계수 (pKa): -2.54 · -2.54±0.22(Predicted)
색상: 무색~황색으로 투명함
InChI: InChI=1S/C4H2ClFN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChIKey: AGYUQBNABXVWMS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(F)C=N1

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.5%)

CSL Reaction Information · 6건

CSL00046

N,N-DIMETHYLFORMAMIDE + 2-CHLORO-5-FLUOROPYRIMIDINE + ZINC CYANIDE

Violent thermal exotherm at >100oC

Harmful,Toxic

Heteroaryl chloride

Cyanation

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 29335990
risk_code: 22-34-41-37/38
hazard_code: Xn,Xi
safety_code: 26-36/37/39-45
포장분류: Ⅲ
위험 등급: 8
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2-Chloro-5-fluoropyrimidine is used to prepare 2,4-disubstituted-5-fluoropyrimidine , which is a biologically active molecule seen in anticancer agents like 5-fluorouracil.

제조 방법 · 1건

Synthesis of 2-chloro-5-fluoropyrimidine: add 2,4-Dichloro-5-fluoropyrimidine and reducing metal powder to the solvent, stir to raise the temperature to the reaction temperature, slowly add acid dropwise, and keep the temperature until the reaction is completed Finish. Filtration, phase separation or direct evaporation of the solvent, and distillation under reduced pressure to remove the solvent to obtain 2-chloro-5-fluoropyrimidine.