2-氯-1-碘-4-硝基苯

2-Chloro-1-iodo-4-nitrobenzene

HCID 96640CAS 41252-96-4

子结构检索查找相似结构

基本信息

标准SMILES: O=[N+]([O-])c1ccc(I)c(Cl)c1
InChIKey: FQXFHRSYMORXKN-UHFFFAOYSA-N
分子式: C6H3ClINO2
平均分子量: 283.45 g/mol
单同位素质量: 282.88970402

名称与标识

首选名称: 2-Chloro-1-iodo-4-nitrobenzene
IUPAC: 2-chloro-1-iodo-4-nitrobenzene
中文名: 2-氯-1-碘-4-硝基苯
英文名: 3-Chloro-4-iodonitrobenzene
分子式: C6H3ClINO2
分子量: 283.45

名称与别名

2-Chloro-1-iodo-4-nitrobenzene41252-96-4EINECS 255-278-8DTXSID40194174NSC 83313RefChem:86126DTXCID50116665255-278-83-Chloro-4-iodonitrobenzeneMFCD000245893-Chloro-4-iodo-nitrobenzene3-chloro-4-iodo-nitro-benzene

展开更多名称

3-氯-4-碘硝基苯3-氯-4-碘代硝基苯2-氯-1-碘-4-硝基苯2-氯-1-碘-4-硝基苯,98%2-chloro-1-iodo-3-nitrobenzeneBUTTPARK 29\07-572-Chloro-1-iodonitrobenzene2-Chloro-4-nitro-1-iodobenzene1-Iodo-2-chloro-4-nitrobenzeneBenzene, 2-chloro-1-iodo-4-nitro-

NSC833131-CHLORO-2-IODO-5-NITROBENZENENCIOpen2_0047913-chloro-4-iodonitro benzeneSCHEMBL2954715SCHEMBL313900712-chloro-1-iodo-4-nitro-benzeneNSC-83313

数据库标识

CAS: 41252-96-4
PubChem CID: 96640
DTXSID: DTXSID40194174
EC Number: 255-278-8
Nikkaji: J320.034E

性质

结构计算性质

XLogP: 3
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 161

物理化学性质

熔点: 94 °C · 94 °C
沸点: 312.9 · 312.9±27.0 °C(Predicted)
密度: 2.094 · 2.094±0.06 g/cm3(Predicted)
储存条件: 2 · 2-8°C(protect from light)
外观: Light yellow to orange Solid
水溶解性: Slightly soluble in water.
敏感性: Light Sensitive
BRN: 2502411 · 2502411
CAS 数据库: 41252 · 41252-96-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.