2-chloropyridine-4-carbaldehyde

• ChemBase编号: 22440
• 分子式: C6H4ClNO
• 平均质量: 141.55506
• 单一同位素质量: 140.99814143
• SMILES: n1c(cc(C=O)cc1)Cl
• Canonical SMILES: O=Cc1ccnc(c1)Cl
• InChI: InChI=1S/C6H4ClNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
• InChIKey: UFPOSTQMFOYHJI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloropyridine-4-carbaldehyde
• IUPAC传统名: 2-chloropyridine-4-carbaldehyde
• 别名: 2-氯-4-甲酰吡啶; 2-氯异烟醛; 2-氯-4-吡啶甲醛; 2-氯吡啶-4-甲醛; 2-Chloroisonicotinaldehyde; 2-Chloropyridine-4-carboxaldehyde; 2-Chloroisonicotinaldehyde 97%; 2-Chloro-4-formylpyridine; 2-Chloroisonicotinaldehyde; 2-Chloro-4-pyridinecarboxaldehyde; 2-Chloropyridine-4-carboxaldehyde; 2-Chloro-pyridine-4-carbaldehyde

登记号

• CAS号: 101066-61-9
• MDL号: MFCD06651557
• Beilstein号: 7986625
• PubChem SID: 160985747
• PubChem CID: 2762994

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.2922974
• LogD (pH = 7.4): 1.2922976
• Log P: 1.2922976
• 摩尔折射率: 36.3512 cm^3
• 极化性: 13.296137 Å^3
• 极化表面积: 29.96 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

• 熔点: 44 - 46 °C; 46-49°C; 46-50 °C; 46-50°C
• 闪点: >110 °C; >110°C; >230 °F

安全信息

• 保存注意事项: Air Sensitive; Harmful/Irritant/Air Sensitive/Store under Argon/Keep Cold; IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38-42/43; 36/37/38
• 安全公开号: 23-26-36/37-45; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H317-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338; P280G-P305+P351+P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: >95%; ≥90%; ≥90.0% (GC); 97%; 98%
• 级别: technical
• Empirical Formula (Hill Notation): C6H4ClNO

详细说明

Sigma Aldrich - 707333

包装
1 g in glass bottle
250 mg in glass bottle

Sigma Aldrich - 689734

包装
500 mg in glass bottle