(3-fluorophenyl)methanamine

• ChemBase编号: 7998
• 分子式: C7H8FN
• 平均质量: 125.1435232
• 单一同位素质量: 125.06407748
• SMILES: c1cc(cc(c1)CN)F
• Canonical SMILES: NCc1cccc(c1)F
• InChI: InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
• InChIKey: QVSVMNXRLWSNGS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3-fluorophenyl)methanamine
• IUPAC传统名: (3-fluorophenyl)methanamine
• 别名: 3-氟苯甲胺; 间氟苄胺; m-Fluorobenzyl amine; 1-(3-fluorophenyl)methanamine; (3-fluorophenyl)methanamine; m-FLUOROBENZYLAMINE; 3-Fluorobenzylamine; 3-Fluorobenzylamine; (3-Fluorophenyl)methylamine; 3-Fluorobenzylamine 97%

登记号

• CAS号: 100-82-3
• EC号: 202-891-3
• MDL号: MFCD00008113
• Beilstein号: 1446928
• PubChem SID: 160971305; 24847749
• PubChem CID: 66853

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.726924
• LogD (pH = 7.4): -0.6589178
• Log P: 1.2417161
• 摩尔折射率: 34.7478 cm^3
• 极化性: 13.340711 Å^3
• 极化表面积: 26.02 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: 186°C; 87-89°C/25mm
• 闪点: 159.8 °F; 71 °C; 71°C; 71°C(159°F)
• 密度: 1.097; 1.097 g/mL at 25 °C(lit.); 1.10 g/ml
• 折射率: 1.514; 1.5150; n20/D 1.514(lit.)
• 疏水性(logP): 1.237

安全信息

• 保存条件: 2-8°C
• 保存注意事项: Air Sensitive; CORROSIVE; Corrosive/Air Sensitive/Store under Argon
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2735; UN2735
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; III
• 危险公开号: 34; R:34
• 安全公开号: 23-26-36/37/39-45; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA收录: false; 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

产品相关信息

• 纯度: 95%; 97%; 98%
• 线性分子式: FC6H4CH2NH2

详细说明

MP Biomedicals - 05215864

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158095

1 ml = approx. 1.10 g

Sigma Aldrich - 126896

包装
1, 5 g in glass bottle