亚硝基安替比林

Nitrosoantipyrine

HCID 13443CAS 885-11-0

子结构检索查找相似结构

基本信息

标准SMILES: Cc1c(N=O)c(=O)n(-c2ccccc2)n1C
InChIKey: IEODZSWSXNQPQL-UHFFFAOYSA-N
分子式: C11H11N3O2
平均分子量: 217.22 g/mol
单同位素质量: 217.08512659

概述

structure given in first source

名称与标识

首选名称: Nitrosoantipyrine
IUPAC: 1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one
中文名: 亚硝基安替比林
英文名: 2,3-dimethyl-4-nitroso-1-phenyl-3-pyrazolin-5-one
分子式: C11H11N3O2
分子量: 217.22

名称与别名

4-Nitrosoantipyrine885-11-04-NitrosoantipyrinNitrosoantipyrine6E87K64L4INSC-75060NSC-1639323H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl-DTXSID80237079RefChem:100155DTXCID30159570212-941-6

展开更多名称

安替比林杂质3亚硝基安替比林1,5-二甲基-4-亚硝基-2-苯基-1H-吡唑-3(2H)-酮1,2-二氢-1,5-二甲基-4-亚硝基-2-苯基-3H-吡唑-3-酮Antipyrine Impurity 32,3-dimethyl-4-nitroso-1-phenyl-3-pyrazolin-5-one1,5-dimethyl-4-nitroso-2-phenyl-1H-pyrazol-3(2H)-one1,2-Dihydro-1,5-dimethyl-4-nitroso-2-phenyl-3H-pyrazole-3-one

ANTIPYRINE, 4-NITROSO-Nitroso Antipyrine1,5-dimethyl-4-nitroso-2-phenylpyrazol-3-one1,2-Dihydro-1,5-dimethyl-4-nitroso-2-phenyl-3H-pyrazol-3-one1,5-Dimethyl-4-nitroso-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneNSC1639323H-Pyrazol-3-one,1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl-1,5-dimethyl-4-nitroso-2-phenyl-pyrazol-3-one

数据库标识

CAS: 885-11-0
PubChem CID: 13443
DTXSID: DTXSID80237079
UNII: 6E87K64L4I
EC Number: 212-941-6
Nikkaji: J855I

性质

结构计算性质

XLogP: 0.2
极性表面积: 53 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 345

物理化学性质

熔点: 168 °C · >168°C (dec.)
储存条件: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
溶解度: Chloroform (Slightly), Methanol (Slightly)
形态: Solid
颜色: Blue Green to Emerald Green
稳定性: Light Sensitive
InChI: InChI=1S/C11H11N3O2/c1-8-10(12-16)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey: IEODZSWSXNQPQL-UHFFFAOYSA-N
SMILES: N1(C)C(C)=C(N=O)C(=O)N1C1=CC=CC=C1

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

化学与工业

上下游产品信息

下游产品

4-氨基安替比林异丙氨基比林

供应商23 家

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州朗欧生物科技有限公司15876533741 · [email protected]

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

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