6-Chloro-7-iodo-7-deazapurine

HCID 14809281CAS 123148-78-7
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Grundinformationen

Standard-SMILES
Clc1ncnc2[nH]cc(I)c12
InChIKey
CBWBJFJMNBPWAL-UHFFFAOYSA-N
Summenformel
C6H3ClIN3
Durchschnittliche Molmasse
279,46 g/mol
Monoisotopische Masse
278,90602

Namen und Bezeichner

Bevorzugter Name
6-Chloro-7-iodo-7-deazapurine
IUPAC
4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
Englischer Name
4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
Summenformel
C6H3ClIN3
Molmasse
279.47

Namen und Synonyme

6-Chloro-7-iodo-7-deazapurineRefChem:541823626-377-74-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine123148-78-74-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidineMFCD092632587H-PYRROLO[2,3-D]PYRIMIDINE, 4-CHLORO-5-IODO-CHEMBL5409944-CHLORO-5-IODOPYRROLO[2,3-D]PYRIMIDINESCHEMBL61206
Weitere Namen anzeigen
EOS-621216-Chloro-7-iodo-deazapurine4-Chloro-5-iodo-1H-pyrrol...6-Chloro-7-iodo-7-deazapurine,96%6-Chloro-7-iodo-7-deazapurine >Name 6-Chloro-7-iodo-7-deazapurine4-CHLORO-5-IODO-7H-PYRROL[2,3]PYRIMIDINE
orb1908279SCHEMBL1735817DTXSID00564258TNU0717CBWBJFJMNBPWAL-UHFFFAOYSA-NCS-M1580BDBM50414152AKOS015850517

Datenbank-Bezeichner

CAS
123148-78-7
PubChem CID
14809281
DTXSID
DTXSID00564258
ChEMBL
CHEMBL540994
EC Number
626-377-7
Nikkaji
J1.064.939K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,3
Polarare Oberfläche (TPSA)
41,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
11

Physikochemische Eigenschaften

Schmelzpunkt
179 · 179-183 °C
Siedepunkt
241 · 241.0±50.0 °C(Predicted)
Dichte
2.47 · 2.47±0.1 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand
powder to crystal
pka
9.61 · 9.61±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (89.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)

Sicherheitsdaten

wgk
3
hs_code
29335990
risk_code
22-36/37/38-R36/37/38-R22
hazard_code
Xn
safety_code
26-36/37-S36/37-S26-37
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwenden6-Chloro-7-iodo-7-deazapurine is used as pharmaceutical intermediate.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Ergänzende Hinweise · 1 Eintrag

Definition4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine, also known as 6-Chloro-7-iodo-7-deazapurine or 4-Chloro-5-iodo-1H-pyrrolo[2,3-d]pyrimidine, is a white solid that can be obtained by iodine reaction of 4-chloro-7h-pyrrole [2,3-d] pyrimidine with NIS.

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