2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene

• ChemBase编号: 142006
• 分子式: C22H18O2
• 平均质量: 314.37712
• 单一同位素质量: 314.13067982
• SMILES: COc1ccc2ccccc2c1c1c2ccccc2ccc1OC
• Canonical SMILES: COc1ccc2c(c1c1c(OC)ccc3c1cccc3)cccc2
• InChI: InChI=1S/C22H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
• InChIKey: BJAADAKPADTRCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
• IUPAC传统名: 2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
• 别名: 2,2'-二甲氧基-1,1'-联萘; (±)-1,1′-二-2-萘酚二甲醚; 2,2′-二甲氧基-1,1′-联萘; (S)-1,1′-二-2-萘二甲醚; (S)-(-)-2,2′-二甲氧基-1,1′-联萘; (R)-1,1′-二-2-萘二甲醚; (R)-(+)-2,2′-二甲氧基-1,1′-联萘; (r)-(+)-2,2'-dimethoxy-1,1'-biNaphthalene; (s)-(-)-2,2'-dimethoxy-1,1'-biNaphthalene; 2,2'-Dimethoxy-1,1'-binaphthyl; 2,2′-Dimethoxy-1,1′-binaphthyl; (±)-1,1′-Bi-2-naphthol dimethyl ether; 2,2′-Dimethoxy-1,1′-binaphthalene; (S)-(-)-2,2′-Dimethoxy-1,1′-binaphthyl; (S)-1,1′-Bi-2-naphthyl dimethyl ether; (S)-(-)-2,2′-Dimethoxy-1,1′-binaphthalene; (R)-(+)-2,2′-Dimethoxy-1,1′-binaphthyl; (R)-1,1′-Bi-2-naphthyl dimethyl ether; (R)-(+)-2,2′-Dimethoxy-1,1′-binaphthalene

登记号

• CAS号: 2960-93-2; 35294-28-1; 75640-87-8
• MDL号: MFCD00091146
• Beilstein号: 4704232; 4704231
• PubChem SID: 24881579; 24881589; 162236238; 24881567
• PubChem CID: 235616

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.284082
• LogD (pH = 7.4): 5.284082
• Log P: 5.284082
• 摩尔折射率: 97.021 cm^3
• 极化性: 41.66909 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 196-200 °C(lit.); 227-231 °C(lit.)
• 比旋光度: [α]20/D +52°, c = 1% in chloroform; [α]20/D -52°, c = 1% in chloroform

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077; UN3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 36/37/38-50/53; 37/38-41-50/53; 41
• 安全公开号: 26-36; 26-36/39-60-61; 26-37-60-61
• TSCA收录: 否
• GHS危险品标识: GHS05; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H315-H318-H335-H410; H318; H318-H413; H400-H410-H315-H319-H335
• GHS警示性声明: P261-P273-P280-P305 + P351 + P338-P501; P280G-P273-P305+P351+P338-P501A; P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 纯度: ≥98.5% (HPLC); 97%; 99%
• 光学纯度: enantiomeric excess: ≥98.5%
• Empirical Formula (Hill Notation): C22H18O2

详细说明

Sigma Aldrich - 595292

包装
1 g in glass bottle

Sigma Aldrich - 595519

包装
250 mg in glass bottle

Sigma Aldrich - 595403

包装
250 mg in glass bottle