6-碘-1H-吲唑-3-羧酸

6-Iodo-1H-indazole-3-carboxylic acid

HCID 24728756CAS 885520-67-2

子结构检索查找相似结构

基本信息

标准SMILES: O=C(O)c1n[nH]c2cc(I)ccc12
InChIKey: RRJVCGPPXNEYJQ-UHFFFAOYSA-N
分子式: C8H5IN2O2
平均分子量: 288.04 g/mol
单同位素质量: 287.93957

名称与标识

首选名称: 6-Iodo-1H-indazole-3-carboxylic acid
IUPAC: 6-iodo-1H-indazole-3-carboxylic acid
中文名: 6-碘-1H-吲唑-3-羧酸
英文名: 6-IODO-3-(1H)INDAZOLE CARBOXYLIC ACID
分子式: C8H5IN2O2
分子量: 288.04

名称与别名

6-iodo-1H-indazole-3-carboxylic acid885520-67-2RefChem:104865814-279-9MFCD073789356-Iodo-3-(1H)indazole carboxylic acid6-Iodoindazole-3-carboxylic Acid6-iodo-1H-indazole-3-carboxylicacidSCHEMBL11971138RRJVCGPPXNEYJQ-UHFFFAOYSA-NDTXSID601289841AKOS005266616

展开更多名称

6-碘吲唑-3-甲酸6-碘-1H-吲唑-3-羧酸1H-Indazole-3-carboxylic acid, 6-iodo-

PB43712AS-48570SY099354DB-140731CS-0050190F51305

数据库标识

CAS: 885520-67-2
PubChem CID: 24728756
DTXSID: DTXSID601289841
EC Number: 814-279-9

性质

结构计算性质

XLogP: 2.1
极性表面积: 66 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 224

物理化学性质

沸点: 512.1 · 512.1±30.0 °C(Predicted)
密度: 2.22 · 2.220±0.06 g/cm3(Predicted)
储存条件: 0 · Store at 0-8 °C
形态: solid
酸度系数(pKa): 2.74 · 2.74±0.10(Predicted)
颜色: Yellow

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, P319, P321, P330, 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.

危害信息

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

安全数据

海关编码: 2933998090

化学与工业

供应商11 家

Aladdin Scientific[email protected]

西安瑞成医药科技有限责任公司18291828687 · [email protected]

上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]

武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

关联笔记

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