2,3-dibromothiophene

• ChemBase编号: 11750
• 分子式: C4H2Br2S
• 平均质量: 241.93168
• 单一同位素质量: 239.82439506
• SMILES: c1c(c(sc1)Br)Br
• Canonical SMILES: Brc1sccc1Br
• InChI: InChI=1S/C4H2Br2S/c5-3-1-2-7-4(3)6/h1-2H
• InChIKey: ATRJNSFQBYKFSM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dibromothiophene
• IUPAC传统名: thiophene, 2,3-dibromo-
• 别名: 2,3-二溴噻吩; 2,3-Dibromothiophene; 2,3-DIBROMOTHIOPHENE TECHNICAL GRADE; 2,3-Dibromothiophene; NSC 99003; 2,3-Dibromothiophene 98%

登记号

• CAS号: 3140-93-0
• EC号: 221-542-6
• MDL号: MFCD00005418
• Beilstein号: 107512
• PubChem SID: 24893867; 160975057; 24861207
• PubChem CID: 76590

理论计算性质

• Log P: 3.457189
• 摩尔折射率: 37.5693 cm^3
• 极化性: 15.159819 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
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.457189
• LogD (pH = 7.4): 3.457189

分子性质

理化性质

• 沸点: 214-216°C; 215-216°C; 215-216°C; 218-219 °C(lit.)
• 闪点: >100°C(212°F); 123.8 °F; 51 °C; 52°C
• 密度: 2.135; 2.137; 2.137 g/mL at 25 °C(lit.)
• 折射率: 1.6300; 1.6310; n20/D 1.632; n20/D 1.632(lit.)
• 疏水性(logP): 3.371

安全信息

• 保存注意事项: Flammable/Harmful/Irritant/Stench/Light Sensitive/Keep Cold; IRRITANT; Light Sensitive
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 10-25-36; 36/38; R:36/37/38
• 安全公开号: 23-24/25-26-45; 26-37; S:20-25-26-37/39
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS06; GHS07
• GHS警示词: Danger
• GHS危险声明: H226-H301-H319; H315-H319
• GHS警示性声明: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313; P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

产品相关信息

• 纯度: ≥97.0% (GC); 95%; 97%; 98%; 98+%
• 级别: purum; TECHNICAL
• Empirical Formula (Hill Notation): C4H2Br2S

详细说明

MP Biomedicals - 05202122

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D43905

包装
5 g in glass bottle

参考文献

• Lithiation with n-BuLi occurs selectively at the 2-position, giving e.g. on carboxylation, 3-bromothiophene-2-carboxylic acid in good yield: Synthesis, 327 (1980). With 2 eq. of n-BuLi the dilithio-derivative is obtained, providing a useful route to 2,3-disubstituted thiophenes: Synthesis, 545 (1972).
• Metallation with LDA at low temperature results, not in the expected 5-lithio-derivative, but in rearrangement to 2,4-dibromo-5-lithiothiophene, an example of the "base-catalyzed halogen dance": Synthesis, 771 (1989):