CAS 133762-83-1 6-Chloropurine (HCID 5359277)

개요

6-Chloro-1H-purine is a member of purines.

이름 및 식별자

우선 이름: 6-Chloropurine
IUPAC: 6-chloro-7H-purine
영어명: 6-Chloropurine
분자식: C5H3ClN4
분자량: 154.56

이름 및 동의어

6-CHLOROPURINE87-42-36-Chloro-9H-purineSK 6048NSC-744OH8700156WDTXSID00861673RefChem:541955DTXCID50207764201-745-66-chloro-7H-purine6-Chloro-1H-purine

이름 더 보기

ClP6-chloro-5H-purine6-chloro-purinx47X 47HSD26

1H-Purine, 6-chloro-Purine, 6-chloro-6-Chlorpurine6-CP6-Chloropurin-9-yl6-chloropurinMFCD00075825111055-92-6

데이터베이스 식별자

CAS: 133762-83-1、87-42-3
PubChem CID: 5359277
DTXSID: DTXSID00861673
ChEMBL: CHEMBL140037
ChEBI: CHEBI:177625
UNII: OH8700156W
EC Number: 201-745-6
Nikkaji: J3.900D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Purines

Physical DescriptionSolid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 300 °C · >300 °C (dec.) (lit.)
끓는 점: 254.17 °C · 254.17°C (rough estimate)
밀도: 1.4649 · 1.4649 (rough estimate)
굴절률: 1.843 · 1.8430 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 5 g/L · 5g/L
물리적 상태: 수정 같은
산도 계수 (pKa): 7.47 · 7.47±0.20(Predicted)
색상: 노란색-주황색
생물학적 소스: mouse
수용성: 5 g/L · 5g/L
Merck: 14 · 14,2161
BRN: 5774 · 5774
InChI: 1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKey: ZKBQDFAWXLTYKS-UHFFFAOYSA-N
SMILES: Clc1ncnc2[nH]cnc12
NIST: 6 · 6-Chloropurine(87-42-3)

화학적 성질 · 1건

It is a pale yellow crystal with relatively stable chemical properties that do not cause decomposition at room temperature. Its structure includes nitrogen heterocycles, which give rise to remarkable alkalinity and the formation of volatile acid salts. It is soluble in dimethyl sulfoxide, but has only slight solubility in water.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information1H-Purine, 6-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryHarmful by ingestion; Targets the liver; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: UO7520000
독성: LD50 oral in mouse: 720mg/kg
HS 번호: 29335990
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39
위험 등급: IRRITANT
F 고인화성물질: 10-23
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

용도 및 제조

UsesMetabolized to form 6-mercaptopurine. [ChemIDplus] Has been used as an antineoplastic; [REPROTOX]

응용 분야

용도6-Chloropurine is used in the preparation of 9-alkylpurines through alkylation with various substituted alkyl halides in dimethyl sulfoxide. It is also used to prepare 6-succinoaminopurine.

일반 설명The acid-catalyzed reaction of 6-chloropurine with 3,4-di-O-acetyl-D-xylal has been investigated.

제조 방법 · 1건

6-chloropurine is synthesized by reacting hypoxanthine with phosphoryl chloride in the presence of an unreactive base such as dimethyl aniline. It may likewise be formed by heating hypoxanthine under pressure with phosphoryl chloride as well as with a reagent prepared by adding water, preferably about by volume, to dry phosphoryl chloride.US2832781A

상·하류 제품 정보

하류 제품

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

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

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]

추가 설명

정의ChEBI: 6-Chloro-1H-purine is a member of purines. It is metabolized to form 6-mercaptopurine and has been used as an antineoplastic.

화합물 노트

불러오는 중…

6-Chloropurine

기본 정보

개요