phenanthrene

• ChemBase编号: 5997
• 分子式: C14H10
• 平均质量: 178.2292
• 单一同位素质量: 178.07825032
• SMILES: c1cccc2c1c1c(cc2)cccc1
• Canonical SMILES: c1ccc2c(c1)c1ccccc1cc2
• InChI: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
• InChIKey: YNPNZTXNASCQKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: phenanthrene
• IUPAC传统名: phenanthrene
• 别名: 菲; 菲 溶液; Phenanthrene; Phenanthrene solution; PHENANTHRENE; Phenantrin

登记号

• CAS号: 85-01-8
• EC号: 266-028-2; 201-581-5; 203-806-2; 200-838-9
• MDL号: MFCD00001168
• Beilstein号: 1905428
• 默克索引号: 147212
• PubChem SID: 24872187; 24898162; 24872118; 160969422; 24898161; 24887197; 24864953; 24855775; 99444852
• PubChem CID: 995
• KEGG ID: C11422
• 美国药典/FDA物质标识码: 448J8E5BST
• 维基百科标题: Phenanthrene

理论计算性质

JChem

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9521992
• LogD (pH = 7.4): 3.9521992
• Log P: 3.9521992
• 摩尔折射率: 58.9584 cm^3
• 极化性: 25.773977 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

ALOGPS 2.1

• Log P: 4.55
• LOG S: -5.72
• 溶解度: 3.41e-04 g/l

分子性质

理化性质

• 溶解度: 1.6 mg/L in water; Soluble in alcohol, benzene, toluene, and glacial acetic acid
• 外观: brown platelets (fine); Colorless solid; sublimed
• 熔点: 101°C; 30 - 180 °C; 95-101°C; 96-98 °C; 97-101°C; 98-100 °C; 98-100 °C(lit.)
• 沸点: >= 250 °C at 1013.25 hPa; 332°C; 336-340°C; 340 °C(lit.); 340°C
• 闪点: -.4 °F; > 200 °C (Cleveland open cup ASTM D 92); 11 °C; 171°C (339.8°F); 171°C(339°F); -18 °C; 51.8 °F
• 自燃点: > 500 °C at 1013.25 hPa
• 密度: 0.980; 1.063; 1.063 g/mL at 25 °C(lit.); 1.15 - 1.4 g/cm^3 at 20 °C; 1.179; 1.18 g/cm^3
• 蒸汽压: < .1 hPa at 20 °C (calculated)
• 荧光: λex 254 nm; λem 378 nm in cyclohexane

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Harmful/Irritant/Light Sensitive/Store under Argon
• RTECS编号: SF7175000
• 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); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1145; 1230; 3077; UN3077
• 德国WGK号: 1; 2
• 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; 11-38-50/53-65-67; 22-36/37/38-50; 22-50/53; 40; R:45; R:45-58
• 安全公开号: 16-36/37-45; 23-24/25-36/37; 26-60-61; 36-60-61; 9-16-25-33-60-61-62; S:45-53; S:45-53-61
• 欧盟危险货物分类: M7
• 欧盟危险识别号(EUHIN): 13
• 美国ERG指导号: 171
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• NFPA704:
  

  1

  1

  0
• GHS危险声明: H225-H301-H311-H331-H370-H411; H225-H304-H315-H336-H410; H302-H315-H319-H335-H410; H351; H400-H410-H302
• GHS警示性声明: P210-P260-P273-P280-P301 + P310-P311; P210-P261-P273-P301 + P310-P331-P501; P261-P273-P305 + P351 + P338-P501; P273-P264-P270-P301+P312-P330-P501A; P281
• 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

药理学性质

• 相关基因信息: human ... CYP1A2(1544); human ... CYP1A2(1544), CYP2A6(1548)mouse ... Cyp2a5(13087)

产品相关信息

• 纯度: ≥98%; ~90% (HPLC); ≥97.0% (HPLC); ≥99.5%; 90%; 95+%; 98%; tech. 90%
• 浓度: 100 ng/μL in cyclohexane; 200 μg/mL in methylene chloride; 5000 μg/mL in methanol
• 级别: analytical standard; analytical standard, for environmental analysis; certified reference material; for fluorescence; purum; technical; technical grade; TraceCERT®; zone-refined
• 包装: ampule of 1 mL; ampule of 5000 mg
• 杂质: anthracene
• Empirical Formula (Hill Notation): C14H10

详细说明

MP Biomedicals - 02195378

Crystalline
Purity: 98+%

MP Biomedicals - 05216587

MP Biomedicals Rare Chemical collection

DrugBank - DB08381

Drug information: experimental

Sigma Aldrich - P11409

包装
25, 100, 500 g in poly bottle

Sigma Aldrich - 695114

包装
1, 5 g in glass bottle

Sigma Aldrich - 260878

包装
500 mg in glass bottle

Sigma Aldrich - P11425

Other Notes
含有蒽
包装
100 g in poly bottle

Sigma Aldrich - 73338

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