三甲基碘硅烷 Trimethylsilyl iodide

CAS 登记号 CAS No.

16029-98-4

分子式 Molecular formula

C3H9ISi（(CH3)3SiI）

分子量 Molecular weight

200.09 g/mol（200.094）

EC 号 EC / EINECS

240-171-0

PubChem CID

85247

MDL 号

MFCD00001028

Beilstein 号

1731136

InChIKey

CSRZQMIRAZTJOY-UHFFFAOYSA-N

HS 编码 HS Code

2931900090（中国 8 位 29319000；10 位 2931900090，其他有机-无机化合物；监管条件 AB，退税率 13%

China 8-digit 29319000; 10-digit 2931900090, other organo-inorganic compounds; supervision AB, rebate 13%）

UN 编号 / 危险类别 UN / Class

UN 2924（FLAMMABLE LIQUID, CORROSIVE, N.O.S. 易燃液体，腐蚀性，未另作规定的），第 3 类 + 第 8 类，包装类别 II（PG II）/ UN 2924 (FLAMMABLE LIQUID, CORROSIVE, N.O.S.), Class 3 + Class 8, Packing Group II

中国危险货物编号 China DG No.

2924（GB 12268 直接以 UN 2924 列名；第 3 类 易燃液体，次要危险性 第 8 类 腐蚀品，PG II

China DG No. 2924 per GB 12268, Class 3 + subsidiary Class 8, PG II）

中国危险化学品目录序号

未单列入《危险化学品目录(2015版)》序号（依危险特性按危化品管理；CAS 16029-98-4 经核未见列名

Not individually listed in the Catalog of Hazardous Chemicals (2015 ed.); managed by dangerous characteristics）

别名 Synonyms

三甲基碘硅烷；碘代三甲硅烷；Trimethylsilyl iodide；Iodotrimethylsilane；TMIS；TMSI；Trimethyliodosilane

项目 Item

指标 Specification (典型值 Typical)

测试方法 Test Method

含量 Assay (GC)

>= 95.0 %（T）或 >= 97.0 %（常见试剂级）/ >=95.0% (T) or >=97.0% (common reagent)

GC 气相色谱 / GC

外观 Appearance

无色至微红棕色透明液体（久置/分解可渐红，因游离碘）/ Clear colorless to reddish liquid (reddens on standing/decomp. due to free iodine)

Visual 目视

沸点 Boiling point

约 106 °C（文献 105-108 °C）/ ~106 C (lit. 105-108 C)

GB/T 616 或等效 / GB/T 616 or equiv.

密度 Density (25 °C)

约 1.406 g/mL（25 °C）/ ~1.406 g/mL at 25 C

GB/T 611 或等效 / GB/T 611 or equiv.

折射率 Refractive index n20/D

约 1.471（文献 1.47-1.48）/ ~1.471 (lit. 1.47-1.48)

GB/T 614 或等效 / GB/T 614 or equiv.

闪点 Flash point

约 −31 °C（闭杯）/ ~ -31 C (closed cup)

GB/T 261 或等效 / GB/T 261 or equiv.

稳定剂 Stabilizer

通常含铜(约 0.1%)或铝作稳定剂，抑制分解/游离碘 / Usually Cu (~0.1%) or Al stabilizer against decomposition/free iodine

供应规格 / Supplier spec.

水分 Water

低（对水分极敏感，水解敏感性 8 级）/ Low (extremely moisture-sensitive, hydrolytic sensitivity grade 8)

卡尔费休 / Karl Fischer

分子式 Molecular formula

C3H9ISi（(CH3)3SiI）

分子量 Molecular weight

200.09 g/mol（精确质量 199.95182）

外观 Appearance

无色至微红棕色透明液体，有特殊卤代气味；对水分与光极敏感（湿气敏感、光敏感）/ Clear colorless to reddish transparent liquid, halogen-like odor; extremely moisture- and light-sensitive

熔点 Melting point

< 0 °C（文献 <0）/ < 0 C (lit.)

沸点 Boiling point

约 106 °C（文献 105-108 °C）/ ~106 C (lit. 105-108 C)

密度 Density

约 1.406 g/mL（25 °C）/ ~1.406 g/mL at 25 C

折射率 Refractive index

n20/D 约 1.471（文献 1.47-1.48）/ n20/D ~1.471 (lit. 1.47-1.48)

闪点 Flash point

约 −31 °C（闭杯）/ ~ -31 C (closed cup)

蒸气压 Vapor pressure

约 40.5 mmHg（25 °C）/ ~40.5 mmHg at 25 C

溶解度/反应性 Solubility/Reactivity

与水、醇、酸、碱剧烈反应（水解），放出碘化氢（HI）；不溶于水；溶于常见有机溶剂，但遇质子性溶剂分解

Reacts violently with water, alcohols, acids, bases (hydrolysis) releasing HI; insoluble in water; soluble in common organic solvents but decomposes with protic solvents

稳定性 Stability

常温稳定但极湿气敏感、光敏感；宜充氮、避光、低温保存；常加铜/铝稳定剂抑制分解（分解渐红，析出碘）/ Stable at ambient but very moisture- and light-sensitive; store under nitrogen, dark, cool; Cu/Al stabilizer used to suppress decomposition (reddens, liberating iodine)

禁配物 Incompatibilities

水、潮湿空气、醇类等质子性溶剂、强酸、强碱、强氧化剂

Water, moist air, protic solvents (alcohols), strong acids, strong bases, strong oxidizers

NFPA 704

健康 3

易燃 3 / 反应 2（遇水 W）/ Health 3 / Flammability 3 / Reactivity 2 (water-reactive W)

燃烧性 Flammability

高度易燃液体（闪点约 −31 °C）/ Highly flammable liquid (flash point ~ -31 C)

有机合成试剂：用于醚、酯、氨基甲酸酯、缩酮、内酯的脱烷基化/裂解；向醇等引入三甲基硅基（TMS 保护基），制备硅醚衍生物（如 GC 衍生化提高挥发性）。

Organic synthesis reagent: dealkylation/cleavage of ethers, esters, carbamates, ketals, lactones; introduction of the trimethylsilyl (TMS) protecting group to alcohols etc., forming silyl ether derivatives (e.g. for GC derivatization to increase volatility).

脱保护与选择性反应：可在其他脱保护不可行时选择性脱除 N-Cbz 等保护基；作为路易斯酸催化剂、还原剂参与多种有机转化。

Deprotection & selective reactions: selective removal of protecting groups such as N-Cbz where other deprotections fail; acts as a Lewis-acid catalyst and reducing agent in many organic transformations.

医药与材料中间体：是合成头孢他啶等头孢类药物的重要中间体；亦用于有机硅化合物及硅基化试剂的制备。

Pharma & materials intermediate: an important intermediate for synthesizing cephalosporins such as ceftazidime; also used to prepare organosilicon compounds and silylating agents.

稳定剂：商品常含铜(约 0.1%)或铝作稳定剂，抑制分解、减少游离碘生成，改善储存稳定性。

Stabilizer: commercial material is usually stabilized with Cu (~0.1%) or Al to suppress decomposition and free-iodine formation, improving storage stability.

储存于阴凉、干燥、通风良好、避光处；严格密封、充氮（如氮气保护），远离火种、热源、火花；与水分、潮湿空气、醇类等质子性溶剂、强酸、强碱、强氧化剂分开存放，切忌混储。本品高度易燃且遇水剧烈反应。

Store in a cool, dry, well-ventilated, dark place; strictly sealed and under nitrogen; away from ignition, heat, sparks; segregate from water, moist air, protic solvents (alcohols), strong acids, strong bases, strong oxidizers. Highly flammable and reacts violently with water.

操作人员须佩戴防护眼镜与面罩、耐化学手套（丁腈/氯丁/丁基橡胶）、防护服与防毒面具（建议 ABEK 滤毒罐防酸性气体），在通风良好处（最好通风橱、防爆通风）作业，避免皮肤/眼睛接触与吸入蒸气/雾滴。现场禁止吸烟、进食和饮水，工后更衣。

Operators wear goggles and face shield, chemical-resistant gloves (nitrile/neoprene/butyl rubber), protective clothing and respirator (recommended ABEK filter for acid gas); work in well-ventilated areas (preferably fume hood, explosion-proof ventilation); avoid skin/eye contact and inhalation of vapour/mist. No smoking/eating/drinking on site; change clothes after work.

禁忌：与水、潮湿空气、醇、酸、碱剧烈反应放出碘化氢（HI，强刺激/腐蚀）；遇火或高热分解放出碘、硅氧化物与有毒烟气。使用干燥、洁净、接地并 bonding 的容器与设备，禁用易与水反应或产生火花的材质；操作时防静电、使用防爆电气与非火花工具。

Incompatibilities: violent reaction with water, moist air, alcohols, acids, bases releasing hydrogen iodide (HI, strongly irritating/corrosive); on fire/high heat decomposes releasing iodine, silicon oxides and toxic fumes. Use dry, clean, grounded and bonded containers/equipment; avoid water-reactive or sparking materials; prevent static discharge, use explosion-proof electrical and non-sparking tools.

试剂级常见为安瓿瓶（充氮、避光，如 5 g / 25 g）；工业级可按客户需求提供衬耐腐蚀内衬的钢桶/高密度聚乙烯(HDPE)桶（如 1 kg、5 kg、25 kg、200 kg 等），均须密封防潮。

Reagent grade commonly in ampoules (under nitrogen, light-protected, e.g. 5 g / 25 g); industrial grade available on request in steel drums or HDPE drums with corrosion-resistant liner (e.g. 1 kg, 5 kg, 25 kg, 200 kg), all sealed moisture-proof.

注意：属第 3 类易燃液体 + 第 8 类腐蚀品（UN 2924，PG II），须使用 UN 认证包装并张贴第 3 类（火焰）+ 第 8 类（腐蚀）标识；具体按目的国法规与承运人要求（IMDG/IATA/ADR/JT/T 617）。

Note: Class 3 flammable liquid + Class 8 corrosive (UN 2924, PG II) - use UN-certified packaging and affix Class 3 (flame) + Class 8 (corrosion) labels; per destination regulation and carrier (IMDG/IATA/ADR/JT/T 617).

在原包装、充氮、密封、避光、低温（如 −20 °C 或 <15 °C 阴凉暗处）条件下，建议保质期 12-24 个月。本品对水分与光极敏感，易分解渐红（析出碘）；开封后宜尽快使用，并始终在氮气保护下操作。

Recommended shelf life 12-24 months under original sealed, nitrogen-purged, light-protected, cool storage (e.g. -20 C or <15 C dark). Extremely moisture- and light-sensitive; decomposes and reddens (free iodine) over time; use promptly after opening and always handle under nitrogen.

GHS 危险性分类（国际 SDS 共识）：易燃液体 2 类 H225（高度易燃液体和蒸气）；皮肤腐蚀 1B 类 H314（造成严重皮肤灼伤和眼损伤）；严重眼损伤 1 类 H318（造成严重眼损伤）；特异性靶器官毒性 3 类 H335（可能引起呼吸道刺激）；皮肤致敏 1 类 H317（可能引起皮肤过敏反应）。补充危险 EUH014（与水剧烈反应）。象形图：GHS02（易燃）+ GHS05（腐蚀）+ GHS07（感叹号/健康危害）；信号词 危险/Danger。

GHS classification (international SDS consensus): Flam. Liq. 2 H225 (highly flammable liquid and vapour); Skin Corr. 1B H314 (causes severe skin burns and eye damage); Eye Dam. 1 H318 (causes serious eye damage); STOT SE 3 H335 (may cause respiratory irritation); Skin Sens. 1 H317 (may cause an allergic skin reaction). Supplementary hazard EUH014 (reacts violently with water). Pictograms: GHS02 (flammable) + GHS05 (corrosive) + GHS07 (exclamation/health); Signal word Danger.

⚠ 遇水剧烈反应（最重要）：与水、潮湿空气、醇、酸、碱剧烈反应放出碘化氢（HI，强刺激/腐蚀），可使容器/物料发热并有燃爆/中毒风险。操作时严禁接触水；灭火禁用直流水，应用干粉、砂土、抗溶泡沫或二氧化碳（雾状水冷却容器须谨慎，避免直接喷射入物料）。遇火或高热分解放出碘、硅氧化物与有毒烟气。消防人员上风向、防毒面具、全身防护。本品高度易燃，蒸气与空气可形成爆炸性混合物。

⚠ Violent water reaction (MOST IMPORTANT): reacts violently with water, moist air, alcohols, acids, bases releasing hydrogen iodide (HI, strongly irritating/corrosive), can heat containers/material with fire/explosion/poisoning risk. Strictly avoid water contact; extinguish with dry powder, sand, alcohol-resistant foam or CO2 (water spray to cool containers only with caution, never direct jet into material). On fire/high heat decomposes releasing iodine, silicon oxides and toxic fumes. Firefighters upwind, respirators, full body protection. Highly flammable; vapour can form explosive mixtures with air.

健康危害：皮肤接触造成严重灼伤（H314 1B）；眼睛接触造成严重眼损伤（H318）；吸入蒸气/雾滴刺激呼吸道（H335）；皮肤接触可致过敏（H317）。水解产生 HI。操作时做好职业防护与通风（建议通风橱）。急性经口毒性主流 SDS 未列明确分级（无公开 LD50），但腐蚀性与遇水剧烈反应决定总体危害高。

Health: skin contact causes severe burns (H314 1B); eye contact causes serious eye damage (H318); inhaled vapour/mist irritates respiratory tract (H335); skin contact may sensitize (H317). Hydrolysis produces HI. Use PPE and ventilation (fume hood recommended). Acute oral toxicity is not prominently classified in the consensus SDS (no public LD50), but corrosivity and violent water reaction make overall hazard high.

运输信息 Transport：UN 2924（FLAMMABLE LIQUID, CORROSIVE, N.O.S. 易燃液体，腐蚀性，未另作规定的），第 3 类 + 第 8 类，包装类别 II（PG II）；中国危险货物编号 2924（GB 12268 直接以 UN 2924 列名）。须使用 UN 认证包装、张贴第 3 类（火焰）+ 第 8 类（腐蚀）标识，海运/空运/公路分别符合 IMDG/IATA/ADR/JT/T 617 要求；具体以目的国法规与承运人判定为准。

Transport: UN 2924 (FLAMMABLE LIQUID, CORROSIVE, N.O.S.), Class 3 + Class 8, Packing Group II (PG II); China DG No. 2924 (per GB 12268, listed directly as UN 2924). Use UN-certified packaging and Class 3 (flame) + Class 8 (corrosion) labels; comply with IMDG/IATA/ADR/JT/T 617 as applicable; per destination regulation and carrier.

法规 Regulatory：作为第 3 类易燃液体 + 第 8 类腐蚀品（遇水剧烈反应），依《危险化学品安全管理条例》按危险特性纳入危险化学品管理；未单列入《危险化学品目录(2015版)》（经核 CAS 16029-98-4 未见列名）；德国水危害等级 WGK 3（对水危害大）。经核不属于易制毒（445号令三类均不受管控）、不属于易制爆（2017版名录未列）、不属于重点监管/监控化学品；已列入《中国现有化学物质名录(2013)》(IECSC)。美国 TSCA 已列；欧盟 REACH 已注册。出口须提供商检与合规 SDS/标签。

Regulatory: as a Class 3 flammable liquid + Class 8 corrosive (violent water reaction), managed as a hazardous chemical under the Regulation on Safe Management of Hazardous Chemicals by its dangerous characteristics; NOT individually listed in the Catalog of Hazardous Chemicals (2015 ed.) (CAS 16029-98-4 not found by name/CAS check); Germany WGK 3 (highly hazardous to water). Verified NOT a precursor (Decree 445 all three categories not controlled), NOT explosively-unstable (2017 list does not list it), NOT key-supervised/monitored; listed in IECSC (2013). US TSCA listed; EU REACH registered. Export requires commodity inspection and compliant SDS/labels.

NFPA 704：健康 3 / 易燃 3 / 反应 2（遇水 W）/ NFPA 704: Health 3 / Flammability 3 / Reactivity 2 (water-reactive W).

NFPA 704: Health 3 / Flammability 3 / Reactivity 2 (water-reactive W).