3-fluorobenzaldehyde

• ChemBase编号: 7935
• 分子式: C7H5FO
• 平均质量: 124.1124032
• 单一同位素质量: 124.032443
• SMILES: c1cc(cc(c1)C=O)F
• Canonical SMILES: O=Cc1cccc(c1)F
• InChI: InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
• InChIKey: PIKNVEVCWAAOMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluorobenzaldehyde
• IUPAC传统名: benzaldehyde, 3-fluoro-
• 别名: 间氟苯甲醛; 3-氟苯甲醛; 3-Fluorobenzaldehyde; 3-Fluorobenzaldehyde; 3-Fluorobenzaldehyde 98%; m-FLUOROBENZALDEHYDE

登记号

• CAS号: 456-48-4
• EC号: 207-266-9
• MDL号: MFCD00003348
• Beilstein号: 970178
• PubChem SID: 24870292; 24894875; 160971242
• PubChem CID: 68009

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.8284501
• LogD (pH = 7.4): 1.8284501
• Log P: 1.8284501
• 摩尔折射率: 32.8584 cm^3
• 极化性: 11.903295 Å^3
• 极化表面积: 17.07 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

• 沸点: 173°C; 56-58°C/10mm; 66-68 °C/20 mmHg(lit.); 66-68°C/20mm
• 闪点: 132.8 °F; 56 °C; 56°C; 56°C(132°F)
• 密度: 1.17 g/mL at 25 °C(lit.); 1.170; 1.174; 1.18 g/ml
• 折射率: 1.5190; 1.52; 1.5200; n20/D 1.518; n20/D 1.518(lit.)

安全信息

• 保存注意事项: Air Sensitive; Flammable/Harmful/Irritant/Air Sensitive/Store under Argon; IRRITANT, FLAMMABLE
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1989; UN1989
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 23-26-36/37; 26-37/39
• TSCA收录: true; 是
• GHS危险品标识: GHS02; GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H315-H319-H335; H301-H315-H319-H335-H226
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1989 3/PG 3

产品相关信息

• 纯度: ≥97.0% (GC); 95+%; 97%
• 级别: purum
• 杂质: ≤2% 3-fluorobenzoic acid
• 线性分子式: FC6H4CHO

详细说明

MP Biomedicals - 05201187

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158078

1 ml = approx. 1.18 g

Sigma Aldrich - F5005

包装
10, 50 g in glass bottle