3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl 2-chloroacetate

• ChemBase编号: 102642
• 分子式: C20H16ClNO3
• 平均质量: 353.79894
• 单一同位素质量: 353.08187106
• SMILES: Cc1c(NC(=O)c2c(OC(=O)CCl)cc3ccccc3c2)cccc1
• Canonical SMILES: ClCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1C
• InChI: InChI=1S/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)
• InChIKey: FMVKYSCWHDVMGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl 2-chloroacetate
• IUPAC传统名: 3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl 2-chloroacetate
• 别名: 3-Hydroxy-2-naphthoic-o-toluidide chloroacetate; NAPHTHOL AS-D CHLOROACETATE; Naphthol AS-D Chloroacetate solution; Naphthol AS-D chloroacetate

登记号

• CAS号: 35245-26-2
• EC号: 205-594-7; 252-463-5
• MDL号: MFCD00042714
• PubChem SID: 162090278; 24897441; 24889447
• PubChem CID: 160247

理论计算性质

• Acid pKa: 11.579588
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.712633
• LogD (pH = 7.4): 4.7126064
• Log P: 4.7126336
• 摩尔折射率: 98.9685 cm^3
• 极化性: 38.44952 Å^3
• 极化表面积: 55.4 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C
• 德国WGK号: 2; 3
• 危险公开号: 19
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 欧盟补充危害声明: May form explosive peroxides.
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥95.0% (HPLC)
• 级别: for histology
• 临床用途: for in vitro diagnostic use
• 有效期: (Expiry date on the label.)
• 产品质量级别: IVD
• Empirical Formula (Hill Notation): C20H16ClNO3

详细说明

MP Biomedicals - 02102424

Free Napthol<100ppm
Crystalline
Esterase substrate

Sigma Aldrich - 911

Components
Naphthol AS-D chloroacetate, 8 mg/mL, and stabilizer
Application
For use in Sigma Procedure 91C for the demonstration of specific esterase in blood, bone marrow films, tissue touch preparations, cytocentrifuge preparations and paraffin tissue sections.

Sigma Aldrich - N0758

Substrates
Substrate for histochemical localization of esterases