2,6-Dichloropurine

HCID 5324412CAS 5451-40-1

기본 정보

표준 SMILES
Clc1nc(Cl)c2[nH]cnc2n1
InChIKey
RMFWVOLULURGJI-UHFFFAOYSA-N
분자식
C5H2Cl2N4
평균 분자량
189 g/mol
단동위원소 질량
187.9656515

이름 및 식별자

우선 이름
2,6-Dichloropurine
IUPAC
2,6-dichloro-7H-purine
영어명
2,6-Dichloropurine
분자식
C5H2Cl2N4
분자량
189

이름 및 동의어

2,6-Dichloropurine5451-40-1DTXSID60202922RefChem:445475DTXCID90125413226-681-62,6-dichloro-9H-purine2,6-dichloro-7H-purine2,6-Dichloro-1H-purineMFCD000777259H-purine, 2,6-dichloro-1H-Purine, 2,6-dichloro-
이름 더 보기
Cefepime IntermediateNSC 18395Dichloropurine6-Dichloropurine2,6-Dichloropurine>2,6-Dichloropurine.97%
2,6 dichloropurine2,6-bis(chloranyl)-7H-purinePurine, 2,6-dichloro-AI3-51950NSC-18395GS-3174KS-1014D2470

데이터베이스 식별자

CAS
5451-40-1
PubChem CID
5324412
DTXSID
DTXSID60202922
ChEMBL
CHEMBL1256006
UNII
W6WK3TS9AP
EC Number
226-681-6
Nikkaji
J81.036C

물성

구조 계산 물성

XLogP
1.7
극성 표면적
54.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
11

물리화학적 성질

녹는점
185 · 185-195 °C (dec.) (lit.)
끓는 점
310.62 °C · 310.62°C (rough estimate)
밀도
1.7265 · 1.7265 (rough estimate)
굴절률
1.63 · 1.6300 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
쉽게 용해됨

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.7% (1 of 146) of reports.

Danger

H301 (71.2%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (26.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (24%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (26.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 146 reports by companies.;There are 8 notifications provided by 145 of 146 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information1H-Purine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (71.2%);Skin Irrit. 2 (26.7%);Skin Sens. 1 (24%);Eye Irrit. 2A (26.7%)

규제 정보

Regulatory Information1H-Purine, 2,6-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
ridadr
UN2811
HS 번호
29349990
risk_code
36/37/38-22
hazard_code
Xn,Xi
safety_code
22-24/25-37/39-26-36

화학 및 산업

응용 분야

개요2,6-Dichloropurine is an important pharmaceutical intermediate. It is widely used in the preparation of purine nucleosides and purine nucleotides[1].

용도2,6-Dichloropurine is used in the synthesis of 2,6-diamino-substituted purine derivatives as potential cardiomyogenesis inducing agents.

공급사50 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]

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309건

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