4-aminophenol hydrochloride

• ChemBase编号: 104108
• 分子式: C6H8ClNO
• 平均质量: 145.58682
• 单一同位素质量: 145.02944156
• SMILES: Cl.Nc1ccc(O)cc1
• Canonical SMILES: Nc1ccc(cc1)O.Cl
• InChI: InChI=1S/C6H7NO.ClH/c7-5-1-3-6(8)4-2-5;/h1-4,8H,7H2;1H
• InChIKey: RVGOBWDGAVAVPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-aminophenol hydrochloride
• IUPAC传统名: aminophenol hydrochloride
• 别名: 对羟基苯胺 盐酸盐; 4-氨基苯酚 盐酸盐; 4-Aminophenol hydrochloride; p-AMINOPHENOL HYDROCHLORIDE; 4-Hydroxyaniline hydrochloride; 4-Hydroxyaniline; 4-AMINOPHENOL

登记号

• CAS号: 51-78-5
• EC号: 200-122-6
• MDL号: MFCD00012996
• Beilstein号: 3911747
• PubChem SID: 162090768; 24891061
• PubChem CID: 5828

理论计算性质

• Acid pKa: 10.399948
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.57626426
• LogD (pH = 7.4): 0.8355824
• Log P: 0.84075457
• 摩尔折射率: 32.7393 cm^3
• 极化性: 12.069466 Å^3
• 极化表面积: 46.25 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

• 外观: gray powder
• 熔点: 300-305 °C (dec.); 300-305 °C (dec.)(lit.); 305°C
• 沸点: 290-295°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: SJ6070000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 36/37/38-43; R:20/22-48-50/53
• 安全公开号: 28-36; S:28-36/37-60-61
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H317-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

产品相关信息

• 纯度: ≥99.0% (AT)
• 级别: for photographic purposes
• 线性分子式: H2NC6H4OH · HCl

详细说明

MP Biomedicals - 05203974

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02154761

(4-Hydroxyaniline) Hydrochloride Gray powder.

Sigma Aldrich - 09170

Application
4-Aminophenol hydrochloride can be used to study cell biology, bioactive small molecules, chemical synthesis, organic building blocks, oxygen compounds and phenols. 4-Aminophenol hydrochloride has been used to study ferrihemoglobin and kidney lesions in rats.