(13C)carbonyl dichloride

• ChemBase编号: 134899
• 分子式: CCl2O
• 平均质量: 99.90875484
• 单一同位素质量: 98.93597482
• SMILES: [13C](=O)(Cl)Cl
• Canonical SMILES: Cl[13C](=O)Cl
• InChI: InChI=1S/CCl2O/c2-1(3)4/i1+1
• InChIKey: YGYAWVDWMABLBF-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: (^1^3C)carbonyl dichloride
• IUPAC传统名: (^1^3C)carbonyl dichloride
• 别名: 光气-13C; 光气-13C 溶液; Phosgene-13C; Phosgene-13C solution

登记号

• CAS号: 53120-07-3
• MDL号: MFCD00084048
• PubChem SID: 162229175; 24881935
• PubChem CID: 12219768

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.3167107
• LogD (pH = 7.4): 1.3167107
• Log P: 1.3167107
• 摩尔折射率: 17.2152 cm^3
• 极化性: 6.6854787 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: -11 °C; 12.2 °F; 39.2 °F; 4 °C
• 质量偏移: M+1

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 3384
• 德国WGK号: 2; 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1
• 危险公开号: 26-34; 45-46-11-26-34-48/23/24/25-65; 63-11-26-36/38-48/20-65
• 安全公开号: 16-26-28-36/37-45-62; 53-26-28-36/37/39-45-62; 9-26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS06; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H304-H314-H331-H336-H361d-H373; H225-H304-H314-H331-H340-H350-H372; H314-H330
• GHS警示性声明: P201-P210-P261-P280-P301 + P310-P305 + P351 + P338; P210-P261-P280-P301 + P310-P305 + P351 + P338-P310; P260-P280-P284-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 3384 6.1/PG 1

产品相关信息

• 浓度: ~1 M in benzene; 1.0 M in toluene; 20% in toluene
• 同位素纯度: 99 atom % 13C
• Mol. Weight: mol wt 99.90 by atom % calculation; mol wt 99.91 by atom % calculation
• 线性分子式: 13COCl2

详细说明

Sigma Aldrich - 606251

包装
5 mL in glass bottle
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 - 603406

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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 - 589454

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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 - 662143

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.