6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine

HCID 97740CAS 7306-68-5

기본 정보

표준 SMILES: Clc1ncnc2c1ncn2C1CCCCO1
InChIKey: QSTASPNCKDPSAH-UHFFFAOYSA-N
분자식: C10H11ClN4O
평균 분자량: 238.67 g/mol
단동위원소 질량: 238.06213865

이름 및 식별자

우선 이름: 6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
IUPAC: 6-chloro-9-(oxan-2-yl)purine
영어명: 6-Chloro-9-(tetrahydro-2-pyranyl)-purine
분자식: C10H11ClN4O
분자량: 238.67

이름 및 동의어

7306-68-56-Chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purineEINECS 230-757-4NSC 33187RefChem:104423230-757-46-Chloro-9-(tetrahydropyran-2-yl)purine6-Chloro-9-(tetrahydro-2-pyranyl)-purine6-chloro-9-(oxan-2-yl)purine6-chloro-9-(2-tetrahydropyranyl)purine6-Chloro-9-(tetrahydro-2-pyranyl)purineMFCD00022821

이름 더 보기

EOS-607226-Chloropurine-THPTIMTEC-BB SBB0053446-CHLORO-9-(TETRAHYD6-Chloro-9-Thp-9H-purine

6-chloro-9-(oxan-2-yl)-9H-purine9H-Purine, 6-chloro-9-(tetrahydro-2H-pyran-2-yl)-6-CHLORO-9-(TETRAHYDROPYRAN-2-YL)-9H-PURINE6-chloro-9-tetrahydropyranylpurineGS-4272NCGC00174342-016-chloro-9-(tetrahydro-pyran-2-yl)-9H-purine2-(6-chloropurin-9-yl)-2H-3,4,5,6-tetrahydropyran

데이터베이스 식별자

CAS: 7306-68-5
PubChem CID: 97740
DTXSID: DTXSID501240654
EC Number: 230-757-4
Nikkaji: J212.303G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 52.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 149 · 149-151℃
끓는 점: 428.3 · 428.3±55.0 °C(Predicted)
밀도: 1.604 · 1.604
인화점: 213 ° · 213°(415°F)
굴절률: 1.741 · 1.7410
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 0.79 · 0.79±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 연한 노란색

화학적 성질

Pale Yellow Solid

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야 · 1건

용도6-Chloro-9-(2-tetrahydropyranyl)purine is used to prepare 6-anilino-9-(2-tetrahydropyranyl)purine by reacting with bromobenzene in the presence of potassium amide as a reagent. Further, it serves as an intermediate in organic synthesis and pharmaceuticals.