heptane

• ChemBase编号: 104824
• 分子式: C7H16
• 平均质量: 100.20194
• 单一同位素质量: 100.12520051
• SMILES: CCCCCCC
• Canonical SMILES: CCCCCCC
• InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
• InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: heptane
• IUPAC传统名: heptane
• 别名: 庚烷; 正庚烷; 正庚烷, HPLC级; 正庚烷, 光谱级; 正庚烷, 无水, 氩气下可重封的ChemSeal™瓶包装; 庚烷分馏物; 正庚烷, 环境级; Heptane; n-Heptane; n-Heptane, HPLC grade; n-Heptane, Spectrophotometric Grade; n-Heptane, anhydrous; Heptane; Dipropyl Methane; Gettysolve-C; Heptyl Hydride; Heptane; n-HEPTANE; N-HEPTANE, CERTIFIED GRADE; N-HEPTANE, HPLC/SPECTRO GRADE; N-HEPTANE, ANHYDROSOLV GRADE; Heptane Fraction; n-Heptane, Environmental Grade

登记号

• CAS号: 142-82-5
• EC号: 205-563-8
• MDL号: MFCD00009544
• Beilstein号: 1730763
• 默克索引号: 144659
• PubChem SID: 24887525; 24854818; 24883760; 24849629; 24873960; 24867954; 24849307; 24849632; 24872911; 24873945; 24881399; 162093298; 24861609; 24859343; 24859239; 24861281; 24873952
• PubChem CID: 8900
• CHEBI ID: 43098
• CHEMBL: 134658
• Chemspider ID: 8560
• Gmelin ID: 49760
• 医学主题词(MeSH): n-heptane
• 美国药典/FDA物质标识码: 456148SDMJ
• 维基百科标题: Heptane

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.5757065
• LogD (pH = 7.4): 3.5757065
• Log P: 3.5757065
• 摩尔折射率: 34.0092 cm^3
• 极化性: 13.67605 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: APHA: ≤10; Colourless liquid; Liquid
• 熔点: -90.6 °C; -90.95 - -90.15°C (182.2 - 183 K); -91 °C(lit.); -91°C
• 沸点: 88 - 105 °C at 10130 hPa; 94-100 °C; 97-99°C; 98 °C; 98 °C(lit.); 98.05 - 98.65°C (371.2 - 371.8 K)
• 闪点: < 0 °C (closed cup); 24.8 °F; -4 °C; -4.0 °C; -4°C(24°F)
• 自燃点: 223.0 °C; 433 °F; ca. 200 °C
• 密度: .688 g/cm^3 at 25 °C; 0.684; 0.684 g/mL at 20 °C; 0.684 g/mL at 25 °C(lit.); 0.71 g/mL at 20 °C; 679.5 mg mL^-1
• 折射率: 1.387; 1.3877; n20/D 1.387(lit.); n20/D 1.3870-1.3880; n20/D 1.388; n20/D 1.397
• 蒸汽压: 40 mmHg ( 20 °C); 5.33 kPa (at 20.0 °C); 53 hPa at 22.3 °C; 83 mmHg ( 37.7 °C)
• 蒸汽密度: 3.5 (vs air); 3.52 (air = 1)
• 分配系数: 4.274
• 紫外吸收波长: λ: 197 nm Amax: 1.00; λ: 200 nm Amax: ≤0.70; λ: 200 nm Amax: ≤1.00; λ: 210 nm Amax: ≤0.40; λ: 210 nm Amax: 0.40; λ: 220 nm Amax: ≤0.10; λ: 220 nm Amax: 0.15; λ: 225 nm Amax: ≤0.10; λ: 230 nm Amax: ≤0.05; λ: 230 nm Amax: 0.05; λ: 245 nm Amax: ≤0.01; λ: 250 nm Amax: ≤0.01; λ: 260 nm Amax: ≤0.01; λ: 260-400 nm Amax: 0.01; λ: 300-400 nm Amax: ≤0.005; λ: 400 nm Amax: ≤0.01; λmax 400 nm (2nd)
• 亨利常数: 12 nmol Pa^-1 kg^-1
• 偶极距: 0.0 D
• 粘度: 386 μPa s
• 气味: Petrolic
• 热容: 224.64 J K^-1 mol^-1
• 标准摩尔燃烧焓 (ΔcH^o298): -4.825–-4.809 MJ mol^-1
• 标准摩尔生成焓 (ΔfH^o298): -225.2–-223.6 kJ mol^-1
• 标准摩尔熵 (S^o298): 328.57 J K^-1 mol^-1
• 透光率: 200 nm, ≥20%; 220 nm, ≥80%; 245 nm, ≥98%

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: MI7700000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1206; UN1206
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 澳大利亚Hazchem: 3YE
• 危险公开号: 11-38-50/53-65-67; R:11-38-50/53-65-67; R11, R38, R50/53, R65, R67
• 安全公开号: 16-61-62; 2-9-16-29-33-60-61-62; 9-16-29-33-60-61-62; S:9-16-29-33-60-61; S2, S16, S29, S33
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 是
• 欧盟危险品索引: 601-008-00-2
• GHS危险品标识: GHS environment; GHS exclamation mark; GHS flame; GHS health hazard; GHS02; GHS07; GHS08; GHS09
• GHS警示词: DANGER; Danger
• NFPA704:
  

  3

  1

  0
• 爆炸极限: 1.05–6.7%; 7 %
• GHS危险声明: 225, 304, 315, 336, 410; H225-H304-H315-H336-H410; H225-H304-H400-H410-H315-H336
• GHS警示性声明: 210, 261, 273, 301+310, 331; P210-P241-P301+P310-P303+P361+P353-P405-P501A; P210-P261-P273-P301 + P310-P331-P501
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1206 3/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: >99%; ≥95% (GC); ≥96%; ≥98.0%; ≥99%; ≥99% (capillary GC); ≥99% (GC); ≥99% n-heptane basis (GC); ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); ≥99.8% (GC); ≥99.9% C7 isomers basis; 95%; 96% n-isomer basis; 96+%; 99%; 99+%; 99+% n-Heptane 96% min
• 级别: absolute; analytical standard; anhydrous; B&J Brand (product of Burdick & Jackson); biotech. grade; CHROMASOLV®; CHROMASOLV® Plus; for HPLC; for pesticide residue analysis; for protein sequence analysis; HPLC; HPLC grade; Laboratory Reagent; LC-MS CHROMASOLV®; PRA grade; purification grade; puriss.; puriss. p.a.; purum; Reag. Ph. Eur.; ReagentPlus®; SAJ first grade; SAJ special grade; spectrophotometric grade
• 主要成分: n-heptane, 96%
• 包装: ampule of 1000 mg; packaged under Argon in resealable ChemSeal? bottles
• 适用性: in accordance for sequence analysis test; passes test for reaction against H2SO4; passes test for suitability for LC-MS
• 蒸发残渣: <0.0001%; <0.0002%; <0.0003%; <0.0005%; ≤0.0001%; ≤0.0003%; ≤0.0005%; ≤0.002%
• 杂质: <0.001% water; <0.005% water; <0.005% water(100 mL pkg); <0.010% water; <0.02% water; <0.030% water; ≤0.0005% free acid (as CH3COOH); ≤0.0005% free alkali (as NH3); ≤0.0005% non volatile matter; ≤0.0005% non-volatile matter; ≤0.001% free acid (as CH3COOH); ≤0.001% non-volatile matter; ≤0.0015% non-volatile matter; ≤0.005% non-volatile matter; ≤0.005% S-compounds (as S); ≤0.01% water; ≤0.01% water (Karl Fischer); ≤0.02% water; ≤0.02% water (Karl Fischer); ≤0.05% water; ≤0.05% water (Karl Fischer); ≤1 ppb fluorescence (quinine) at 254 nm; ≤1 ppb fluorescence (quinine) at 365 nm; ≤1 ppb quinine fluor., 254 nm; ≤1 ppb quinine fluor., 365 nm; ≤1.0 ppb Fluorescence (quinine) at 365 nm; ≤5 ng/L suitability for residue analysis
• 痕量阳离子: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 提纯方法: filtration through 0.2μm; glass distillation
• 品质说明: over molecular sieve (H2O ≤0.005%)
• λ: H2O reference
• Halogenated residue (GC/ECD): <4 μg/L (as heptachlor epoxide); ≤2 μg/L (as heptachlor epoxide)
• abs.: absorption/197 nm 1.0; absorption/210 nm 0.40; absorption/225 nm 0.10; λmax/254 nm 0.01
• Determination of P/N: ≤5 ng/L
• 线性分子式: CH3(CH2)5CH3

详细说明

MP Biomedicals - 02157323

Purity: >99%
1 ml = approx. 0.68 g

Sigma Aldrich - 34999

法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 154873

包装
1, 2 L in glass bottle

Sigma Aldrich - 494526

包装
1, 2 L in Sure/Seal™

Sigma Aldrich - H2198

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
包装
1, 4×2.5, 4, 4×4 L in glass bottle
20 L in steel drum
50 L in Pure-Pac™ 2
56 L in Pure-Pac™ 1
View returnable container options.
200 L in Pure-Pac™ 2
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 51744

General description
可以成本价获得专用手册 (85475)
Other Notes
可能实行销售限制

Sigma Aldrich - 32287

Other Notes
Pertains only in Germany: unversteuert

Sigma Aldrich - 51760

Other Notes
可能实行销售限制

Sigma Aldrich - 51750

Other Notes
可能实行销售限制

Sigma Aldrich - 09642

包装
专用包装，可直接用于常用测序仪。

Sigma Aldrich - 34495

Other Notes
Pertains only in Germany: unversteuert

Sigma Aldrich - 324043

Application
适用于农残分析
包装
4×4 L in glass bottle

Sigma Aldrich - 51743

General description
可以成本价获得专用手册 (85475)
Other Notes
可能实行销售限制

Sigma Aldrich - 592579

包装
1, 4, 4×4 L in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 15677

Other Notes
Pertains only in Germany: unversteuert

Sigma Aldrich - 34873

包装
1, 6×1, 2, 4×2, 2.5, 4×2.5, 4×4 L in glass bottle
18 L in VerSA-Flow™
20 L in Nowpak™
45 L in ss drum
7 L in ss drum
100 mL in glass bottle
50 L in Pure-Pac™ 2
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 246654

Other Notes
Pure-Pac® II 容器需要 Micomatic MicroValve 来分配溶剂，Z560723。
包装
1, 6×1, 2, 4×2 L in Sure/Seal™
View returnable container options.
100 mL in Sure/Seal™
20 L in Pure-Pac™ 2
法律信息
Pure-Pac 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 15674

Other Notes
Pertains only in Germany: unversteuert

Sigma Aldrich - 650536

Application
适用于高效液相色谱法、分光光度法以及环境检测
Other Notes
Pure-Pac® II 容器需要 Micromatic MacroValve 连接器 (Z560723) 来分配溶剂。
农药残留分析（以环氧七氯计）<2μg/L
包装
1, 6×1, 4, 4×4 L in glass bottle
50 L in Pure-Pac™ 2
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac 注册商标 Sigma-Aldrich Co. LLC