(13C)formaldehyde

• ChemBase编号: 134825
• 分子式: CH2O
• 平均质量: 31.01863484
• 单一同位素质量: 31.01391952
• SMILES: [13CH2]=O
• Canonical SMILES: [13CH2]=O
• InChI: InChI=1S/CH2O/c1-2/h1H2/i1+1
• InChIKey: WSFSSNUMVMOOMR-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: (^1^3C)formaldehyde
• IUPAC传统名: (^1^3C)formaldehyde
• 别名: 甲醛-13C, d2 溶液; 福尔马林-13C; 甲醛-13C 溶液; 13C and deuterium labeled formaldehyde; Formalin-13C,d2; Formaldehyde-13C, d2 solution; Formalin-13C; Formaldehyde-13C solution

登记号

• CAS号: 63101-50-8; 3228-27-1
• MDL号: MFCD08702814; MFCD00144372
• PubChem SID: 162229101; 24872481
• PubChem CID: 11029752

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.46697542
• LogD (pH = 7.4): -0.46697542
• Log P: -0.46697542
• 摩尔折射率: 6.307 cm^3
• 极化性: 2.676496 Å^3
• 极化表面积: 17.07 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

• 闪点: 113 °C; 235.4 °F
• 蒸汽压: 52 mmHg ( 37 °C)
• 质量偏移: M+1; M+3

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有害性(Harmful) (Xn)
• 德国WGK号: 2; 3
• 危险公开号: 20/21/22-34-40-43-68; 20/21/22-36/37/38-40-43
• 安全公开号: 26-36/37; 26-36/37/39-45
• GHS危险品标识: GHS05; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H302-H312-H314-H332-H334-H341-H351; H302-H312-H315-H317-H319-H332-H335-H351
• GHS警示性声明: P261-P280-P305 + P351 + P338; P261-P280-P305 + P351 + P338-P310

产品相关信息

• 浓度: 20 wt. % in D2O; 20 wt. % in H2O
• 同位素纯度: 98 atom % D; 99 atom % 13C
• Mol. Weight: mol wt 31.01 by atom % calculation; mol wt 33.00 by atom % calculation
• 线性分子式: D13CDO; H13CHO

详细说明

Sigma Aldrich - 489417

包装
1 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 596388

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.