(3-bromophenyl)hydrazine hydrochloride

• ChemBase编号: 32045
• 分子式: C6H8BrClN2
• 平均质量: 223.49812
• 单一同位素质量: 221.95593795
• SMILES: c1cc(cc(c1)NN)Br.Cl
• Canonical SMILES: NNc1cccc(c1)Br.Cl
• InChI: InChI=1S/C6H7BrN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
• InChIKey: RPYIPFXHIKXRKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3-bromophenyl)hydrazine hydrochloride
• IUPAC传统名: (3-bromophenyl)hydrazine hydrochloride
• 别名: 3-溴苯肼 盐酸盐; 3-溴苯肼 盐酸; 1-(3-Bromophenyl)hydrazine Hydrochloride; m-Bromphenylhydrazine Hydrochloride; 3-Bromophenylhydrazine hydrochloride; 3-Bromophenylhydrazine hydrochloride 98%; 3-Bromophenylhydrazine hydrochloride; (3-bromophenyl)hydrazine hydrochloride

登记号

• CAS号: 27246-81-7
• EC号: 248-362-0
• MDL号: MFCD00012933
• Beilstein号: 3565829
• PubChem SID: 160995352; 24850886; 24849392
• PubChem CID: 33757

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.9405508
• LogD (pH = 7.4): 2.1305895
• Log P: 2.133641
• 摩尔折射率: 43.3875 cm^3
• 极化性: 15.693478 Å^3
• 极化表面积: 38.05 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off- White to Light Beige Solid
• 熔点: 218 - 220°C; 225-231(dec.)°C; 227-231 °C (dec.)(lit.); 252-254°C; ca 225°C; ca 225°C dec.
• 疏水性(logP): 2.43

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Corrosive/Light Sensitive/Store under Argon; IRRITANT, HYGROSCOPIC, CORROSIVE
• RTECS编号: MV0815000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1759
• 德国WGK号: 2
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 34; 36/37/38
• 安全公开号: 26-36/37/39-45; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H314; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: 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
• RID/ADR: UN 1759 8/PG 2

产品相关信息

• 纯度: ≥96% (AT); 95%; 98%
• 级别: technical
• 成盐信息: HCl
• 线性分子式: BrC6H4NHNH2·HCl

详细说明

Sigma Aldrich - 153958

包装
25 g in poly bottle
5 g in glass bottle

Toronto Research Chemicals - B686505

A phenylhydrazone derivative with fungicidal activity.