1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid

HCID 90301CAS 23945-44-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIKey
ZXYAAVBXHKCJJB-UHFFFAOYSA-N
분자식
C5H4N2O4
평균 분자량
156.1 g/mol
단동위원소 질량
156.01710661

개요

Uracil-5-carboxylic acid is a pyrimidinemonocarboxylic acid that is uracil carrying a carboxy group at position 5. It is functionally related to a uracil. It is a conjugate acid of a uracil-5-carboxylate. It is a tautomer of a 2,4-dihydroxypyrimidine-5-carboxylic acid.

이름 및 식별자

우선 이름
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
IUPAC
2,4-dioxo-1H-pyrimidine-5-carboxylic acid
영어명
2,4-Dihydroxypyrimidine-5-carboxylic acid
분자식
C5H4N2O4
분자량
156.1

이름 및 동의어

23945-44-0Uracil 5-carboxylic acidIsoorotic acidUracil-5-carboxylic acid2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid5-Carboxyuracil5-Uracilcarboxylic acid5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-2,4-Dihydroxy-5-pyrimidinecarboxylic acidG7JYK59EBRUracil 5-carboxylateNSC-1589
이름 더 보기
5-PyrimidinecarboxylicNSC 79561ISO-OROTIC ACIDUracil Impurity 1RARECHEM AL BO 2377Uracil-5-Carboxylicuracil-5-carboxylicaci
1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acidDTXSID1066942CHEBI:17477NSC-79561RefChem:906620DTXCID1036969245-947-22,4-Dihydroxypyrimidine-5-carboxylic acid

데이터베이스 식별자

CAS
23945-44-0
PubChem CID
90301
DTXSID
DTXSID1066942
ChEMBL
CHEMBL1213478
ChEBI
CHEBI:17477
UNII
G7JYK59EBR
EC Number
245-947-2
Nikkaji
J39.644C

물성

구조 계산 물성

XLogP
-0.7
극성 표면적
95.5 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
4
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Collision Cross Section · 3건

118.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

122.93 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

119.3 Ų [M-H]-

물리화학적 성질

녹는점
283 °C · 283 °C (dec.)(lit.)
끓는 점
280.29 °C · 280.29°C (rough estimate)
밀도
1.6814 · 1.6814 (rough estimate)
굴절률
1.48 · 1.4800 (estimate)
저장 조건
Inert atmosphere,Room Temperature
용해도
DMSO에 용해됨

화학적 성질

white to slightly yellow crystalline powder or

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29335990
risk_code
36/37/38
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-: INACTIVE

응용 분야

용도2,4-Dihydroxypyrimidine-5-carboxylic acid (Uracil-5-carboxylic acid) has been used for the visual sensing of melamine (at parts-per-billion (ppb) level) by a highly sensitive analytical method based on Au nanoparticles.

일반 설명2,4-Dihydroxypyrimidine-5-carboxylic acid (Uracil-5-carboxylic acid) has been obtained from 5-formyluracil by the action of enzyme, thymine 7-hydroxylase. It has been used to synthesize N1-alkylated uracil derivatives.

상·하류 제품 정보

공급사50 곳

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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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