反应SMILES:Clc1ncnc2[nH]cc(I)c12
HCID14809281

6-Chloro-7-iodo-7-deazapurine

4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine

C6H3ClIN3279.46 g/molCAS 123148-78-7

IDENTITY

结构与身份

标准SMILES
Clc1ncnc2[nH]cc(I)c12
InChIKey
CBWBJFJMNBPWAL-UHFFFAOYSA-N
分子式
C6H3ClIN3
平均分子量
279.46 g/mol
单同位素质量
278.90602

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
41.6 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
11
形式电荷
0
复杂度
157

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (89.4%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.9%)

ALIASES

名称与别名

共 40 条
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]PYRIMIDINESCHEMBL61206orb1908279SCHEMBL1735817DTXSID00564258TNU0717CBWBJFJMNBPWAL-UHFFFAOYSA-NCS-M1580BDBM50414152AKOS015850517

REACTIONS

参与反应

648
HRID51482

uspto-grants-2004_03

作为反应物
HRID 51482 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713474B2

查看
HRID51530

uspto-grants-2004_03

作为反应物
HRID 51530 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713474B2

查看
HRID51566

uspto-grants-2004_03

作为反应物
HRID 51566 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713474B2

查看
HRID51614

uspto-grants-2004_03

作为反应物
HRID 51614 方程式

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713474B2

查看
HRID82254

uspto-grants-2014_09

作为反应物
HRID 82254 方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846698B2

查看
HRID172292

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 172292 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看
HRID197458

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 197458 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID211230

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 211230 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看