sulfonylideneoxidane; sulfuric acid

• ChemBase编号: 136318
• 分子式: H2O7S2
• 平均质量: 178.14168
• 单一同位素质量: 177.9241944
• SMILES: OS(=O)(=O)O.O=S(=O)=O
• Canonical SMILES: OS(=O)(=O)O.O=S(=O)=O
• InChI: InChI=1S/H2O4S.O3S/c1-5(2,3)4;1-4(2)3/h(H2,1,2,3,4)
• InChIKey: HIFJUMGIHIZEPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sulfonylideneoxidane; sulfuric acid
• IUPAC传统名: sulfur trioxide; sulfuric acid
• 别名: 发烟硫酸; 硫酸，发烟; Oleum; Sulfuric acid, fuming

登记号

• CAS号: 8014-95-7
• MDL号: MFCD00137792
• Beilstein号: 2037554
• PubChem SID: 24856355; 24867243; 24859401; 162230588; 24863393; 24861913; 24858586
• PubChem CID: 24681

理论计算性质

• Acid pKa: -3.034349
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• 摩尔折射率: 13.7708 cm^3
• 极化性: 6.279968 Å^3
• 极化表面积: 74.6 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

• 外观: colorless to very light brown
• 密度: 1.90 g/mL at 20 °C; 1.925 g/mL at 25 °C(lit.)
• 蒸汽压: 2 mmHg ( 25 °C)
• 蒸汽密度: 3 (vs air)

安全信息

• RTECS编号: WS5605000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 1831
• 德国WGK号: 1
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 14-35-37
• 安全公开号: 26-30-45
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H314-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1831 8/PG 1
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: ≤87% total SO3 basis; 12.0-17.0% free SO3 basis (ACS specification); 15% free SO3 basis; 18.0-24.0% free SO3 basis (ACS specification); 20% free SO3 basis; 20-30% free SO3 basis; 26.0-29.5% free SO3 basis (ACS specification); 28.0-32.0% free SO3 basis (with NaOH); 30% free SO3 basis; 65.5-68.0% free SO3 basis (with NaOH)
• 浓度: 30.0-33.0%; 60.0-63.0%
• 级别: ACS reagent; JIS special grade; puriss. p.a.; reagent grade; SAJ first grade
• 燃烧残渣: ≤0.002%; ≤0.01%
• 杂质: ≤0.0002% ammonium (NH4); ≤0.0005% heavy metals (as Pb)
• 痕量阳离子: As: ≤0.03 mg/kg; As: ≤0.03 ppm; Fe: ≤2 ppm; Fe: ≤50 mg/kg; NH4+: ≤3 ppm
• 痕量阴离子: chloride (Cl-): ≤5 mg/kg; nitrate (NO3-): ≤1 ppm
• 线性分子式: H2SO4 · (SO3)x

详细说明

Sigma Aldrich - 778990

Caution
may contain particle

Sigma Aldrich - 357413

Caution
may contains particles

Sigma Aldrich - 435597

包装
500 g in glass bottle

Sigma Aldrich - 323551

包装
500 g in PVC coated