acenaphthylene

• ChemBase编号: 107914
• 分子式: C12H8
• 平均质量: 152.19192
• 单一同位素质量: 152.06260026
• SMILES: c1cc2c3c(C=Cc3ccc2)c1
• Canonical SMILES: c1cc2cccc3c2c(c1)C=C3
• InChI: InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
• InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: acenaphthylene
• IUPAC传统名: acenaphthylene
• 别名: 苊烯 溶液; 苊烯; Acenaphthylene solution; Acenaphthylene; Cycopenta(de)naphthalene; Acenaphthalene; ACENAPHTHYLENE; Cyclopenta[de]naphthalene; NSC 59821; Acenaphthyene; aceNaphthalene

登记号

• CAS号: 208-96-8
• EC号: 203-806-2; 200-659-6; 205-917-1
• MDL号: MFCD00003806
• Beilstein号: 774092
• PubChem SID: 24872113; 24862993; 24865923; 162095076; 24891309; 24864948
• PubChem CID: 9161
• CHEBI ID: 33081
• Chemspider ID: 8807
• 美国药典/FDA物质标识码: 1Z25C36811
• 维基百科标题: Acenaphthylene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.3293178
• LogD (pH = 7.4): 3.3293178
• Log P: 3.3293178
• 摩尔折射率: 51.905 cm^3
• 极化性: 20.9428 Å^3
• 极化表面积: 0.0 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

• 溶解度: Insoluble in water; soluble in chloroform; very soluble in benzene; very soluble in diethyl ether; very soluble in ethanol
• 外观: Yellow crystals
• 熔点: 78-82 °C(lit.); 91.8°C; 92-93°C
• 沸点: 265-275°C; 280 °C(lit.); 280°C
• 闪点: -.4 °F; ?°C; 122 °C; -18 °C; 251.6 °F
• 密度: 0.8987 g cm^-3; 0.899 g/mL at 25 °C(lit.)

安全信息

• RTECS编号: AB1254000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1145; 1230; 3077
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 9
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-23/24/25-39/23/24/25; 11-38-50/53-65-67; 22-36/37/38; R:45-36/37/38-58; R22 R36 R37 R38
• 安全公开号: 26-36/37/39; 7-16-36/37-45; 9-16-25-33-60-61-62; S:28-29-36/37/39-45-53-61; S26 S36 S37 S39
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H304-H315-H336-H410; H301-H311-H331-H370; H302-H315-H319-H335
• GHS警示性声明: P210-P261-P273-P301 + P310-P331-P501; P260-P280-P301 + P310-P311; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 1230 3/PG 2; UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ~80% (GC); ≥99%; 75%; 95+%; 97%
• 浓度: 100 ng/μL in cyclohexane; 5000 μg/mL in methanol
• 级别: analytical standard; analytical standard, for environmental analysis; technical
• 包装: ampule of 1 mL; ampule of 100 mg
• 杂质: 20% acenaphthene
• Empirical Formula (Hill Notation): C12H8

详细说明

MP Biomedicals - 05205457

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A805

包装
5, 100 g in glass bottle

Sigma Aldrich - 416703

包装
100 mg in glass bottle

Toronto Research Chemicals - A130750

Polycyclic aromatic hydrocarbons as carcinogenic agents.

参考文献

• Hansen, B., et al.: Environ. Toxicol. Chem., 18, 772 (1999)
• Czub, G., et al.: Environ. Sci. Technol., 38, 2406 (1999)