iodo(13C)methane

• ChemBase编号: 135936
• 分子式: CH3I
• 平均质量: 142.93164484
• 单一同位素质量: 142.93130293
• SMILES: [13CH3]I
• Canonical SMILES: [13CH3]I
• InChI: InChI=1S/CH3I/c1-2/h1H3/i1+1
• InChIKey: INQOMBQAUSQDDS-OUBTZVSYSA-N

名称和登记号

名称

• IUPAC标准名: iodo(^1^3C)methane
• IUPAC传统名: iodo(^1^3C)methane
• 别名: 甲基碘-13C,d1; 碘甲烷-13C,d1; 甲基碘-13C,d2; 碘甲烷-13C,d2; 碘甲烷-13C 溶液; 甲基碘-13C; 碘甲烷-13C; Methyl-13C,d iodide; Iodomethane-13C,d; Methyl Iodide-13C,d2; Iodomethane-13C,d2; Iodomethane-13C solution; Methyl-13C iodide; Iodomethane-13C

登记号

• CAS号: 207507-22-0; 55487-75-7; 4227-95-6
• MDL号: MFCD08702922; MFCD00001075; MFCD08702956
• Beilstein号: 1697017
• PubChem SID: 162230207; 24872247; 24856740
• PubChem CID: 9989367

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.5555657
• LogD (pH = 7.4): 1.5555657
• Log P: 1.5555657
• 摩尔折射率: 19.4953 cm^3
• 极化性: 7.886128 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

• 熔点: -66.5 °C; -66.5 °C(lit.)
• 沸点: 42 °C(lit.)
• 密度: 2.290 g/mL at 25 °C; 2.312 g/mL at 25 °C; 2.327 g/mL at 25 °C
• 折射率: n20/D 1.5293(lit.)
• 蒸汽压: 6.35 psi ( 20 °C)
• 蒸汽密度: 4.89 (vs air)
• 质量偏移: M+1; M+2; M+3

安全信息

• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2644; 2810
• 德国WGK号: 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; 3
• 危险公开号: 21-23/25-34-40-42/43-53; 21-23/25-37/38-40; 21-23/25-37/38-40-53; 22-38-40-48/20/22
• 安全公开号: 23-26-36/37/39-45; 36/37; 36/37-38-45; 36/37-45
• GHS危险品标识: GHS06; GHS07; GHS08
• GHS警示词: Danger; Warning
• GHS危险声明: H301-H312-H315-H331-H335-H351; H302-H315-H319-H351-H373
• GHS警示性声明: P261-P280-P301 + P310-P311; P281-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2644 6.1/PG 1; UN 2810 6.1/PG 3

产品相关信息

• 浓度: 1% in chloroform-d ("100%", 99.96 atom % D); 1% in chloroform-d (99.8 atom % D)
• 级别: NMR reference standard
• 同位素纯度: 98 atom % 13C; 98 atom % D; 99 atom % 13C; 99 atom % 13C (iodomethane-13C)
• 主要成分: chromium (III) acetylacetonate, 0.2%; chromium(III) acetylacetonate, 0.2%; trimethyl phosphite, 1%
• 其他组分: copper as stabilizer
• Mol. Weight: mol wt 142.92 by atom % calculation; mol wt 143.91 by atom % calculation; mol wt 144.89 by atom % calculation
• NMR tube O.D. × L: 3 mm × 8 in.; 6.5 mm × 8 in.
• 线性分子式: 13CH3I; D13CH2I; H13CD2I
• Empirical Formula (Hill Notation): 13CH3I

详细说明

Sigma Aldrich - 277185

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.
5 g in glass bottle

Sigma Aldrich - 652415

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.

Sigma Aldrich - 703346

Features and Benefits
Indirect detection test

Sigma Aldrich - 639257

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.

Sigma Aldrich - 487155

Features and Benefits
间接检测试验