4-硝基-3-(三氟甲基)苯酚

2篇引用文献

COA

级别和纯度:

≥98%

CAS编号: 88-30-2
分子式: O₂NC₆H₃(CF₃)OH
分子量: 207.11
Beilstein号: 2053698
EC号: 201-818-2
MDL号: MFCD00014714
PubChem编号: 6931
PubChem SID: 504751203

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货号 (SKU)	包装规格	是否现货
N122607-1g	1g	现货
N122607-5g	5g	现货
N122607-25g	25g	现货
N122607-100g	100g	现货

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含氧化合物 (815) 脂质代谢 (4331) 非杂环含氟砌块 (1416)

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基本描述

别名	杀八目鳗剂 \| 5-羟基-2-硝基三氟甲苯
英文别名	Phenol, m-trifluoromethyl-, p-nitro- \| 2-trifiuoromethyl-4-hydroxynitrobenzene \| NCGC00254809-01 \| BRN 2053698 \| m-Cresol, alpha,alpha,alpha-trifluoro-4-nitro- \| DTXCID101788 \| 4-Nitro-3-(trifluoromethyl)phenol, 99% (GC) \| NCGC00164224-02 \| m-Cresol, 4-ni
规格或纯度	≥98%
英文名称	4-Nitro-3-(trifluoromethyl)phenol
运输条件	常规运输
作用类型	抑制剂
纯度	≥98%

关联靶点（人）

NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)

点击查看靶蛋白信息： NR3C1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 活性数据)

点击查看靶蛋白信息： AR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 活性数据)

点击查看靶蛋白信息： PPARG

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RXRA Tclin Retinoid X receptor alpha (3637 活性数据)

点击查看靶蛋白信息： RXRA

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 活性数据)

点击查看靶蛋白信息： NR1H4

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 活性数据)

点击查看靶蛋白信息： TP53

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 活性数据)

点击查看靶蛋白信息： Nfe2l2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 活性数据)

点击查看靶蛋白信息： Nr1i2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	504751203
EC号	201-818-2
分子类型	小分子
IIUPAC Name	4-nitro-3-(trifluoromethyl)phenol
INCHI	1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H
InChi Key	ZEFMBAFMCSYJOO-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES	C1=CC(=C(C=C1O)C(F)(F)F)[N+](=O)[O-]
分子量	207.11
Beilstein号	2053698
Reaxy-Rn	2053698
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053698&ln=

化学和物理性质

溶解性	可溶于甲醇
沸点	135-138°C/0.01mmHg
熔点	80 °C
分子量	207.110 g/mol
XLogP3	2.800
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	0
精确质量Exact Mass	207.014 Da
单同位素质量Monoisotopic Mass	207.014 Da
拓扑极表面积Topological Polar Surface Area	66.100 Å²
重原子数Heavy Atom Count	14
形式电荷Formal Charge	0
复杂度Complexity	225.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS06, GHS07
信号词	危险
危险声明	H301: 吞咽会中毒 H302: 吞食有害 H312: 皮肤接触有害 H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H332: 吸入有害 H335: 可能引起呼吸道刺激
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P271: 仅在室外或通风良好的地方使用。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P330: 漱口 P302+P352: 如皮肤沾染：用水充分清洗。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P501: 将内容物/容器处理到。。。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P316: 如果吞咽：立即寻求紧急医疗救助。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P317: 寻求紧急医疗救助。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	3
RTECS	GP3520000
Merck Index	9253
个人防护装备	dust mask type N95 (US), Eyeshields, Gloves

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找到5个结果

批号(Lot Number)	证书类型	货号
B2429419	分析证书	N122607
B2429420	分析证书	N122607
B2429421	分析证书	N122607
H1426028	分析证书	N122607
E1414030	分析证书	N122607

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引用文献

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溶液计算器

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计算溶液所需的质量、体积或浓度。

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稀释计算器

计算配制储备溶液所需的稀释度。

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复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

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