benzene

• ChemBase编号: 88240
• 分子式: C6H6
• 平均质量: 78.11184
• 单一同位素质量: 78.04695019
• SMILES: c1ccccc1
• Canonical SMILES: c1ccccc1
• InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
• InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzene
• IUPAC系统名: cyclohexa-1,3,5-triene
• IUPAC传统名: benzene
• 别名: 苯; 苯, ACS; 苯, 无水; 苯, HPLC级; 苯, 光谱级; Benzene; Benzene, ACS; Benzene, anhydrous; Benzene, HPLC Grade; Benzene, Spectrophotometric Grade; Benzene 99.8%; 1,3,5-cyclohexatriene; benzol; phene; BENZENE, ANHYDROSOLV GRADE; BENZENE; Pyrobenzole; BENZENE ACS REAGENT GRADE

登记号

• CAS号: 71-43-2
• EC号: 200-753-7
• MDL号: MFCD00003009
• Beilstein号: 969212
• 默克索引号: 141066
• PubChem SID: 162075228; 24885346; 24859203; 24847664; 24849458; 24847673; 24872013; 24864879; 24859297; 24856389
• PubChem CID: 241
• CHEBI ID: 16716
• CHEMBL: 277500
• Chemspider ID: 236
• KEGG ID: C01407
• 美国药典/FDA物质标识码: J64922108F
• 维基百科标题: Benzene

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.9732459
• LogD (pH = 7.4): 1.9732459
• Log P: 1.9732459
• 摩尔折射率: 26.058 cm^3
• 极化性: 10.40423 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: 1.8 g/L (15 °C) in water
• 外观: APHA: ≤10; APHA: ≤20; Colorless liquid; Liquid
• 熔点: 5 °C; 5.5 °C(lit.); 5.5 °C, 278.7 K, 41.9 °F; 5.5°C; 5°C
• 沸点: 80 °C(lit.); 80.1 °C at 1013.25 hPa; 80.1 °C, 353.3 K, 176.18 °F; 80°C; 80-80.2°C
• 闪点: -11 °C (closed cup); -11 °C; -11°C; -11.63 °C, 262 K; -11°C(12°F); 12.2 °F
• 自燃点: 1043 °F; 562 °C
• 密度: .8765 g/cm^3 at 20 °C; 0.874; 0.874 g/mL at 25 °C(lit.); 0.8765(20) g/cm^3; 0.88
• 折射率: 1.5010; n20/D 1.5000-1.5020; n20/D 1.501; n20/D 1.501(lit.)
• 蒸汽压: 166 mmHg ( 37.7 °C); 74.6 mmHg ( 20 °C); 99.7 hPa at 20 °C
• 蒸汽密度: 2.77 (vs air)
• 紫外吸收波长: 255 nm; λ: 280 nm Amax: 1.0; λ: 285 nm Amax: 0.3; λ: 290 nm Amax: 0.1; λ: 290 nm Amax: 0.15; λ: 290 nm Amax: 0.30; λ: 300 nm Amax: 0.05; λ: 300 nm Amax: 0.06; λ: 300 nm Amax: 0.10; λ: 320 nm Amax: 0.02; λ: 330 nm Amax: 0.01; λ: 330 nm Amax: 0.02; λ: 330 nm Amax: 0.04; λ: 340 nm Amax: 0.01; λ: 350 nm Amax: 0.003; λ: 350 nm Amax: 0.02; λ: 350-400 nm Amax: 0.01; λ: 380-400 nm Amax: 0.01
• 偶极距: 0 D
• 粘度: 0.652 cP at 20 °C
• 转变温度: solidification point ≥5.2 °C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Toxic/Highly Flammable
• RTECS编号: CY1400000
• 欧盟危险性物质标志: Carc. Cat. 1; 易燃性(Flammable) (F); Flammable (F); Muta. Cat. 2; 有毒(Toxic) (T); Toxic (T)
• 联合国危险货物编号: 1114; UN1114
• 德国WGK号: 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: 3WE
• 危险公开号: 45-46-11-36/38-48/23/24/25-65; R:11-45-48/23/24/25; R45, R46, R11, R16, R36/38,R48/23/24/25, R65
• 安全公开号: 53-45; S:45-53; S53, S45
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 130
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS07; GHS08
• GHS警示词: Danger
• NFPA704:
  

  3

  2

  0
• 爆炸极限: 8 %
• GHS危险声明: H225-H304-H315-H319-H340-H350-H372; H225-H340-H350-H372-H304-H315-H319
• GHS警示性声明: P201-P210-P301 + P310-P305 + P351 + P338-P308 + P313-P331; P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• 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 1114 3/PG 2

产品相关信息

• 纯度: ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.7% (GC); ≥99.9%; ≥99.9% (GC); 99%; 99.0% min; 99.5%; 99.5+%; 99.8%
• 级别: absolute; ACS; ACS reagent; ACS spectrophotometric grade; analytical standard; analytical standard, for environmental analysis; anhydrous; CHROMASOLV® Plus; for HPLC; for residue analysis; for UV-spectroscopy; JIS special grade; purification grade; puriss.; puriss. p.a.; purum; REAGENT; ReagentPlus®; SAJ first grade
• 包装: ampule of 5000 mg; packaged under Argon in resealable ChemSeal? bottles
• 适用性: suitable for 1000 per JIS; suitable for 300 per JIS; suitable for 5000 per JIS
• 蒸发残渣: <0.0005%; ≤0.0005%; ≤0.001%
• 杂质: <0.001% water; <0.005% water(100 mL pkg); ≤0.0002% free alkali (as NH3); ≤0.0004% free acid (as HCl); ≤0.0005% other S-compounds (as S); ≤0.001% non-volatile matter; ≤0.005% S compounds; ≤0.02% water (Karl Fischer); ≤0.03% water; ≤0.03% water (Karl Fischer); ≤0.05% water; ≤0.05% Water (Karl Fischer); ≤0.05% water (Karl Fischer); ≤1 ppm thiophene; H2SO4, passes test(darkened); thiophene, none detected; thiophene, passes test(limit ~1 ppm); thiophene, passes test(limit ～1ppm)
• 痕量阳离子: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤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: ≤0.01 mg/kg; Fe: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.01 mg/kg; Sn: ≤0.1 mg/kg; Zn: ≤0.01 mg/kg
• 有效期: (limited shelf life, expiry date on the label)
• 品质说明: over molecular sieve (H2O ≤0.005%)
• 溶剂强度(ε Al2O3): 0.32
• λ: 1 cm path, H2O reference; H2O reference
• Empirical Formula (Hill Notation): C6H6

详细说明

MP Biomedicals - 02193879

ACS Reagent Grade
Purity: 99%

Sigma Aldrich - 156302

包装
1, 4 L in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 154628

包装
1, 4×4 L in glass bottle

Sigma Aldrich - 319953

包装
1, 2, 2.5, 4, 4×4 L in glass bottle
20 L in steel drum
500 mL in glass bottle

Sigma Aldrich - 401765

包装
1, 6×1, 2 L in Sure/Seal™
10 L in ss drum
View returnable container options.
100, 12×100 mL in Sure/Seal™
18 L in Pure-Pac™ 1

Sigma Aldrich - 32212

Other Notes
Pertains only in Germany: unversteuert

Sigma Aldrich - 270709

Biochem/physiol Actions
环境致癌物；与人体内白血病发生率增加相关的溶血毒素。
包装
1, 6×1, 2, 4×4 L in glass bottle
100 mL in glass bottle
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Apollo Scientific Ltd - OR40181

Anhydrous