{[3-(phenylcarbamoyl)naphthalen-2-yl]oxy}phosphonic acid

• ChemBase编号: 102639
• 分子式: C17H14NO5P
• 平均质量: 343.270521
• 单一同位素质量: 343.06095918
• SMILES: OP(=O)(O)Oc1cc2c(cccc2)cc1C(=O)Nc1ccccc1
• Canonical SMILES: O=C(c1cc2ccccc2cc1OP(=O)(O)O)Nc1ccccc1
• InChI: InChI=1S/C17H14NO5P/c19-17(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)23-24(20,21)22/h1-11H,(H,18,19)(H2,20,21,22)
• InChIKey: KVIYXIWBXOQZDN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[3-(phenylcarbamoyl)naphthalen-2-yl]oxy}phosphonic acid
• IUPAC传统名: [3-(phenylcarbamoyl)naphthalen-2-yl]oxyphosphonic acid
• 别名: 3-Hydroxy-2-naphthanilide phosphate; Naphthol AS phosphate; 2-Hydroxy-3-naphthoic acid anilide phosphate; NAPHTHOL AS-PHOSPHATE

登记号

• CAS号: 13989-98-5
• EC号: 237-789-8
• MDL号: MFCD00036182
• Beilstein号: 2772810
• PubChem SID: 162088188; 24886090; 24897742
• PubChem CID: 84137

理论计算性质

• Acid pKa: 1.7435992
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 0.7127389
• LogD (pH = 7.4): -0.038433865
• Log P: 3.097177
• 摩尔折射率: 90.8955 cm^3
• 极化性: 35.275566 Å^3
• 极化表面积: 95.86 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 200°C

安全信息

• 保存条件: 0°C
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 级别: for histology
• Empirical Formula (Hill Notation): C17H14NO5P

详细说明

MP Biomedicals - 02102417

Naphthol-Free
Crystalline
Substrate for the histochemical location of phosphatases.

Sigma Aldrich - 70471

Other Notes
Substrate for the histochemical location of phosphatases1
Substrates
Histochemical substrate for acid and alkaline phosphatase.

Sigma Aldrich - N5625

Substrates
Histochemical substrate for acid and alkaline phosphatase.