6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione

HCID 73273CAS 18592-13-7

기본 정보

표준 SMILES: O=c1cc(CCl)[nH]c(=O)[nH]1
InChIKey: VCFXBAPEXBTNEA-UHFFFAOYSA-N
분자식: C5H5ClN2O2
평균 분자량: 160.56 g/mol
단동위원소 질량: 160.00395508

이름 및 식별자

우선 이름: 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
IUPAC: 6-(chloromethyl)-1H-pyrimidine-2,4-dione
영어명: 6-(Chloromethyl)uracil
분자식: C5H5ClN2O2
분자량: 160.56

이름 및 동의어

18592-13-72,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-4-(Chloromethyl)uracil4-chloromethyluracilDTXSID4066387RefChem:5396136-(Chloromethyl)-2,4(1H,3H)-pyrimidinedioneDTXCID9035880242-431-96-(Chloromethyl)uracil6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione6-Chloromethyluracil

이름 더 보기

Tipiracil-0026-(CHLOROMETHYLTIMTEC-BB SBB003961Tipiracil Impurity 145-CHLORO-6-METHYLURACIL6-methyl-5-chlorouracil6-Chloromethyluracil >6-(Chloromethyl)uracil,98%

6-(chloromethyl)-1H-pyrimidine-2,4-dioneMFCD000100956-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione6-(chloromethyl)-1,3-dihydropyrimidine-2,4-dione6-chloromethylpyrimidine-2,4-dioneEINECS 242-431-9Tipiracil Impurity 86-chloromethyl-uracil

데이터베이스 식별자

CAS: 18592-13-7
PubChem CID: 73273
DTXSID: DTXSID4066387
EC Number: 242-431-9
Nikkaji: J208.250K

물성

구조 계산 물성

XLogP: -0.7
극성 표면적: 58.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 212

물리화학적 성질

녹는점: 257 °C · 257 °C (dec.)(lit.)
밀도: 1.393 · 1.393±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: almost transparency in N,N-DMF
물리적 상태: powder to crystal
산도 계수 (pKa): 7.91 · 7.91±0.10(Predicted)
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
InChIKey: VCFXBAPEXBTNEA-UHFFFAOYSA-N
SMILES: C1(=O)NC(CCl)=CC(=O)N1
EPA: 2 · 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)- (18592-13-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29335990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-: INACTIVE

응용 분야

용도6-(Chloromethyl)uracil is an alkali-resistant protein adsorbent, suitable for medical procedures. it is also used in the synthesis of chlorophenyl hydroxypiperidine analogs having anti-amylatic activity.

상·하류 제품 정보

상류 원료

2,4(1H,3H)-Pyrimidinedione, 6-(chloromethyl)-5-iodo-6-[(메틸티오)메틸]우라실 6-(하이드록시메틸)우라실 6-(클로로메틸)-2-(메틸티오)피리미딘-4(3H)-ONE 4-클로로-3-옥소부티릴클로라이드 6-Formyl-uracil monohydrate 6-Methyluracil 요소 피리딘 오로트 산 4-클로로아세트 초산에틸

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

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