(2H3)acetonitrile

• ChemBase编号: 106241
• 分子式: C2H3N
• 平均质量: 41.05192
• 单一同位素质量: 41.0265491
• SMILES: CC#N
• Canonical SMILES: CC#N
• InChI: InChI=1S/C2H3N/c1-2-3/h1H3
• InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)acetonitrile
• IUPAC传统名: (^2H₃)acetonitrile
• 别名: 氘代乙腈-D3; 氘代乙腈; 乙腈-D3; ACETONITRILE-[D₃]; Methyl-d3 cyanide; Trideuteroacetonitrile; Acetonitrile-d3; Acetonitrile-d

登记号

• CAS号: 2206-26-0
• EC号: 218-616-5
• MDL号: MFCD00001881
• Beilstein号: 1740230
• 默克索引号: 1470
• PubChem SID: 24874256; 24854209; 24880079; 24862666; 24866667; 24882111; 24848856; 24858684; 24853968; 24866474; 24868140; 24854195; 24867651; 24877783; 24853969; 162087675
• PubChem CID: 123151

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.16539685
• LogD (pH = 7.4): -0.16539685
• Log P: -0.16539685
• 摩尔折射率: 11.623 cm^3
• 极化性: 4.2592 Å^3
• 极化表面积: 23.79 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: Liquid; Liquid in prescored ampoules, 0.75ml/ampoule
• 沸点: 80.7 °C(lit.); 81°C
• 闪点: 28 °C; 42.8 °F; 5°C(42°F); 6 °C; 82.4 °F
• 密度: .844 g/mL at 25 °C; 0.844 g/mL at 25 °C(lit.); 0.863
• 折射率: n20/D 1.341(lit.)
• 质量偏移: M+3

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648; 1993; UN1648
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; 3; II
• 危险公开号: 11-20/21/22-36
• 安全公开号: 16-26-36/37; 16-36/37
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H301-H311-H332-H319; H225-H302 + H312 + H332-H319; H225-H302-H312-H319-H332
• GHS警示性声明: P210; P210-P280-P305 + P351 + P338; P210-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P210-P305 + P351 + P338
• RID/ADR: UN 1648 3/PG 2; UN 1993 3/PG 3

产品相关信息

• 纯度: 99.8%
• 级别: anhydrous
• 同位素纯度: 96-97 atom % D; 99 atom % D; 99.8 atom % D; 99.95 atom % D; 99.96 atom % D
• 主要成分: D2O, 15-20%
• 包装: pk of 10 × 0.5 mL; pk of 10 × 0.75 mL; pk of 10 × 1 mL; pk of 5 × 0.5 mL
• 杂质: >10 ppm water
• 其他组分: 0.03 % (v/v) TMS; 0.05 % (v/v) TMS; 1 % (v/v) TMS; 1% TMS
• 线性分子式: CD3CN

详细说明

MP Biomedicals - 02511705

CD₃CN
Purity: 99.8% D atom
d= 0.84 g/ml
Flammable liquid & poison
UN 1648

Sigma Aldrich - 233323

包装
10×0.5, 10×0.75 mL in ampule
25 g in glass bottle
5 g in ampule

Sigma Aldrich - 423106

包装
1 pkg in ampule

Sigma Aldrich - 444723

包装
1 pkg in ampule

Sigma Aldrich - 530883

包装
1 L in glass bottle

Sigma Aldrich - 441317

包装
1 pkg in ampule

Sigma Aldrich - 308714

包装
1 pkg in ampule

Sigma Aldrich - 569550

包装
10×1 mL in ampule

Sigma Aldrich - 236861

包装
1 pkg in ampule
5×1 mL in ampule

Sigma Aldrich - 699543

Application
These solvents have an HOD peak which is less than 1% of the HOH peak to minimize potential exchange with an analyte. "Special HOH" also meet our standard water specifications for NMR solvents.
包装
10, 25, 50 g in glass bottle

Sigma Aldrich - 702579

包装
每包 10×0.6mL

Sigma Aldrich - 366544

包装
10×0.6 mL in ampule
25, 50 g in glass bottle
5, 10 g in ampule

Sigma Aldrich - 237019

包装
1 pkg in ampule

Sigma Aldrich - 151807

包装
10×0.6, 10×0.75, 10×1 mL in ampule
100 g in Sure/Seal™
10, 25, 50 g in glass bottle
5, 10 g in ampule

Sigma Aldrich - 418455

包装
10mL 预划痕安瓿包装，50mL 螺纹盖瓶包装

Sigma Aldrich - 432814

包装
10mL 安瓿包装，50mL 螺纹盖瓶包装

Sigma Aldrich - 718289

包装
10×0.6 mL in ampule

Sigma Aldrich - 563102

包装
1 L in glass bottle

Sigma Aldrich - 233331

包装
25, 50 g in glass bottle

Sigma Aldrich - 613134

包装
10, 25 g in glass bottle

Sigma Aldrich - 425796

包装
1 mL in ampule

Sigma Aldrich - 522147

包装
10 g in glass bottle