naphthalen-1-ol

• ChemBase编号: 102982
• 分子式: C10H8O
• 平均质量: 144.16992
• 单一同位素质量: 144.05751488
• SMILES: Oc1c2ccccc2ccc1
• Canonical SMILES: Oc1cccc2c1cccc2
• InChI: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
• InChIKey: KJCVRFUGPWSIIH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: naphthalen-1-ol
• IUPAC传统名: naphthol
• 别名: α-萘酚; 1-羟基萘; 1-萘酚; 1-Naphthyl Alcohol; C.I. 76605; Durafur Developer D; Fouramine ERN; Fourrine 99; Fourrine ERN; Furro ER; NSC 9586; Nako TRB; Naphthol-1; Naphthyl-1-ol; Tertral ERN; Ursol ERN; Zoba ERN; α-Hydroxynaphthalene; α-Naphthyl Alcohol; 1-Naphthol; 1-Hydroxynaphthalene; α-NAPHTHOL; naphthalen-1-ol; 1-Naphthalenol; alpha-Naphthol; 1-Naphthol; alpha-Naphthol; 1-Naphthol; α-Naphthol

登记号

• CAS号: 90-15-3
• EC号: 201-969-4
• MDL号: MFCD00003930
• Beilstein号: 1817321
• 默克索引号: 146383
• PubChem SID: 24861963; 24897595; 24886085; 24886084; 162089364; 24897451; 24860063
• PubChem CID: 7005
• CHEBI ID: 10319
• CHEMBL: 122617
• Chemspider ID: 6739
• KEGG ID: C11714
• 美国药典/FDA物质标识码: 2A71EAQ389
• 维基百科标题: 1-Naphthol

理论计算性质

• Acid pKa: 9.601542
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.6591232
• LogD (pH = 7.4): 2.6564522
• Log P: 2.6591573
• 摩尔折射率: 44.4891 cm^3
• 极化性: 18.54935 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: ethanol: soluble1 M, clear; Soluble in alcohol, benzene, chloroform, ether
• 外观: Colorless or white solid; commercial material is often strongly colored; pink to brown; white to off-white
• 熔点: 94-96 °C; 94-96 °C(lit.); 94-97 °C; 95–96 °C; 95-97 °C; 95-97°C; 96 °C; 96°C
• 沸点: 278 °C; 288 °C; sublimes; 278°C; 278-280 °C(lit.); 278–280 °C; 278-280°C
• 闪点: 125 °C; 125°C(257°F); 257 °F
• 自燃点: 1007 °F
• 密度: (solid) 1.224 at 4 °C (water = 1); (liquid) 1.095 at 98.7 °C (water = 1); 1.10 g/cm^3; 1.28
• 蒸汽压: 1 mm Hg at 94 °C; 1 mmHg ( 94 °C)
• 蒸汽密度: 4.5 (120 °C, vs air)
• 荧光: λex 300 nm; λem 472 nm (Borax buffer); λex 322 nm; λem 468 nm in 0.1 M borate pH 9.0

安全信息

• 保存条件: Room Temperature (15-30°C), Protect from light
• 保存注意事项: Air & Light Sensitive
• RTECS编号: QL2800000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811; UN2811
• 德国WGK号: 1
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 21/22-37/38-41; R:21/22-37/38-41
• 安全公开号: 2-22-26-37/39; 22-26-37/39; S:22-26-37/39
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 154
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• 爆炸极限: 5 %
• GHS危险声明: H302-H312-H315-H318-H335; H318-H315-H302-H312-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

药理学性质

• 相关基因信息: human ... CYP1A2(1544)

产品相关信息

• 纯度: ≥99%; ≥98%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); 98%; 99%
• 级别: for analytical purposes; for fluorescence; PESTANAL®, analytical standard; puriss.; puriss. p.a.; ReagentPlus®; SAJ special grade
• 燃烧残渣: ≤0.05%; ≤0.05% (as SO4); ≤0.1%
• 杂质: ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.1% Insoluble matter; ≤0.2% naphthaline (GC); ≤0.2% water (Karl Fischer); ≤0.5% 2-naphthol (GC)
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.0005%; Cu: ≤0.0005%; Fe: ≤0.0005%; Fe: ≤10 mg/kg; K: ≤0.005%; Mg: ≤0.0005%; Na: ≤0.005%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.05%
• 临床用途: for in vitro diagnostic use
• 线性分子式: C10H7OH

详细说明

MP Biomedicals - 02150139

Purity: 99+%

Sigma Aldrich - 31097

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 70438

Other Notes
免疫印迹中过氧化物酶的良好底物1；诱导红细胞产生氧化剂应激的试剂2

Sigma Aldrich - N2780

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. N2780.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - N1000

包装
10, 100, 500 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 70442

包装
1 kg in glass bottle
50 g in glass bottle

Sigma Aldrich - 33420

包装
在惰性气体下装瓶

Toronto Research Chemicals - N367990

Used in the manufacturing of dyes, intermediates, synthetic perfumes.