1,2-dihydroacenaphthylene

• ChemBase编号: 104078
• 分子式: C12H10
• 平均质量: 154.2078
• 单一同位素质量: 154.07825032
• SMILES: C1Cc2c3c1cccc3ccc2
• Canonical SMILES: c1cc2cccc3c2c(c1)CC3
• InChI: InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2
• InChIKey: CWRYPZZKDGJXCA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dihydroacenaphthylene
• IUPAC传统名: acenaphthene
• 别名: 苊 溶液; 萘乙环; 苊; peri-Ethylenenaphthalene; Naphthyleneethylene; Acenaphthene solution; 1,8-Ethylenenaphthalene; ACENAPHTHENE; Acenaphthene; 1,8-ethyleneNaphthalene; Acenaphthene; 1,2-Dihydroacenaphthylene; NSC 7657; peri-Ethylenenaphthalene; 1,2-Dihydro Acenaphthylene

登记号

• CAS号: 83-32-9
• EC号: 200-659-6; 203-806-2; 201-469-6
• MDL号: MFCD00003807
• Beilstein号: 386081
• 默克索引号: 1428
• PubChem SID: 162091405; 24864861; 24872166; 24890495; 24852888
• PubChem CID: 6734
• CHEBI ID: 22154
• CHEMBL: 1797271
• Chemspider ID: 6478
• KEGG ID: C19312
• 美国药典/FDA物质标识码: V8UT1GAC5Y
• 维基百科标题: Acenaphthene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.5258396
• LogD (pH = 7.4): 3.5258396
• Log P: 3.5258396
• 摩尔折射率: 50.7884 cm^3
• 极化性: 20.82028 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: 0.4 mg/100 ml in water; chloroform: soluble50 mg/mL, clear; slight in chloroform; slight in ethanol; soluble in acetic acid; very soluble in benzene
• 外观: brown-beige crystalline; White or pale yellow crystalline powder
• 熔点: 89-94 °C; 90-94 °C(lit.); 92 - 96.2 °C; 92-95 °C; 92-95°C; 92-96.2°C; 93.4°C
• 沸点: 277 °C at 1013 hPa; 278°C; 279 °C(lit.); 279°C
• 闪点: -.4 °F; 11 °C; 125 °C; 135 °C; 135°C(275°F); -18 °C; 257 °F; 51.8 °F; ca. 135 °C (open cup and DIN 51584)
• 自燃点: >450 °C
• 密度: 1.024 g/cm^3; 1.15; 1.15 g/cm^3 at 20 °C
• 蒸汽压: .00267 hPa at 20 °C; 10 mmHg ( 131 °C)
• 蒸汽密度: 5.32 (vs air)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AB1000000
• 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); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1145; 1230; 3077; UN3077
• 德国WGK号: 1; 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; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 11-23/24/25-39/23/24/25; 11-23/24/25-39/23/24/25-51/53; 11-38-50/53-65-67; 36/37/38-50/53; 51/53; R:45-36/37/38; R:45-58-36/37/38
• 安全公开号: 16-36/37-45-61; 26-36/37/39-60-61; 61; 7-16-36/37-45; 9-16-25-33-60-61-62; S:28-29-36/37/39-45-53; S:28-29-36/37/39-45-53-61
• 美国ERG指导号: 171
• TSCA收录: 是
• 欧盟危险品索引: Not listed
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• NFPA704:
  

  1

  2

  1
• GHS危险声明: H225-H301-H311-H331-H370; H225-H301-H311-H331-H370-H411; H225-H304-H315-H336-H410; H315-H319-H335-H410; H411-H401
• GHS警示性声明: P210-P260-P273-P280-P301 + P310-P311; P210-P260-P280-P301 + P310-P311; P210-P261-P273-P301 + P310-P331-P501; P261-P273-P305 + P351 + P338-P501; P273
• 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: ≥95% (HPLC); ≥99.0% (HPLC); 97%; 98%; 99%
• 浓度: 100 ng/μL in cyclohexane; 200 μg/mL in methanol; 5000 μg/mL in methanol
• 级别: analytical standard; analytical standard, for environmental analysis; purum; technical; TraceCERT®
• 包装: ampule of 1 mL
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C12H10

详细说明

MP Biomedicals - 02154669

(1,8-Ethylenenaphthalene) Purity: 97%.

Sigma Aldrich - 215376

包装
1, 5 g in glass bottle
100 g in poly bottle

Sigma Aldrich - A104

包装
1 kg in glass bottle
250 g in glass bottle

Sigma Aldrich - 05426

Analysis Note
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34. This CRM is traceable to NIST SRM.
General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC

Toronto Research Chemicals - D448330

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)