CAS 123148-78-7 6-Chloro-7-iodo-7-deazapurine (HCID 14809281)

名称と識別子

優先名称: 6-Chloro-7-iodo-7-deazapurine
IUPAC: 4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
現地名: 6-クロロ-7-ヨード-7-デアザプリン
英語名: 4-Chloro-5-iodo-7H-pyrrol[2,3-d]pyrimidine
分子式: C6H3ClIN3
分子量: 279.47

名称と別名

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

名称をさらに表示

6-クロロ-7-ヨード-7-デアザプリン4-クロロ-5-ヨード-7H-ピロロ[2,3-d]ピリミジン6-クロロ-7-ヨード-7-デアザプリン, 96%4-クロロ-5-ヨード-7H-ピロロ[2,3-d]ピリミジン-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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.3
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 157

物理化学的性質

融点: 179 · 179-183 °C
沸点: 241 · 241.0±50.0 °C(Predicted)
比重(密度): 2.47 · 2.47±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 9.61 · 9.61±0.20(Predicted)
色: White to Orange to Green
水溶解度: 水に不溶。
InChI: InChI=1S/C6H3ClIN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey: CBWBJFJMNBPWAL-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C2C(I)=CNC2=N1

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

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
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用6-Chloro-7-iodo-7-deazapurine is used as pharmaceutical intermediate.

上流・下流製品情報

上流原料

N-ヨードこはく酸イミド 6-クロロ-7-デアザプリンエタノール N,N-ジメチルホルムアミド硫酸ナトリウム

下流製品

5-ヨード-7-メチル-7H-ピロロ[2,3-D]ピリミジン-4-アミン 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 3-(4-モルホリノ-7H-ピロロ[2,3-d]ピリミジン-5-イル)ベンゾニトリル 5-ヨードツベルシジン 4-クロロ-7-シクロペンチル-5-ヨード-7H-ピロロ[2,3-D]ピリミジン

サプライヤー100 社

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]

補足説明 · 1 件

定義4-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.