基本描述

别名	N,O-双(三甲基硅基)三氟乙酰胺
英文别名	NSC 379423 \| Q1281115 \| (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-4-oxopentanoic acid \| N-trimethylsilyl-trifluoroacetylimidic acid trimethylsilyl ester \| Trimethylsilyl (1Z)-2,2,2-trifluoro-N-[
规格或纯度	用于GC衍生化, ≥98%(GC)
英文名称	N,O-Bis(trimethylsilyl)trifluoroacetamide
应用	医药中间体。 99%高纯级用在GC-MS系统分析食品中的糠醛含量。用于气相色谱的硅烷化试剂和衍生化试剂
储存温度	2-8°C储存,充氩
运输条件	冰袋运输
产品介绍	N,O-双(三甲基甲硅烷基)三氟乙酰胺是一种有机硅试剂，用于三甲基硅烷化、脱保护、脱氢、烯丙基烷基化、氮酸酯形成和Claisen重排。 BSTFA 是一种甲硅烷基化剂，用于合成 4-喹诺酮类化合物。应用 N,O-双(三甲基甲硅烷基)三氟乙酰胺可用作衍生化试剂，用于通过气相色谱-质谱测定雌激素雌激素酮和17α-乙炔雌二醇。 N,O-Bis(trimethylsilyl)trifluoroacetamide is an organosilicon reagent for trimethylsilylation, deprotection, dehydrogenation, allylic alkylation, nitronate formation, and Claisen rearrangement. BSTFA is a silylating agent used in the synthesis of 4-Quinolones.

AI解读

名称和识别符

EC号	247-103-9
IUPAC Name	trimethylsilyl 2,2,2-trifluoro-N-trimethylsilylethanimidate
INCHI	InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3
InChi Key	XCOBLONWWXQEBS-UHFFFAOYSA-N
Canonical SMILES	C[Si](C)(C)N=C(C(F)(F)F)O[Si](C)(C)C
Isomeric SMILES	C[Si](C)(C)N=C(C(F)(F)F)O[Si](C)(C)C
WGK Germany	3
关联CAS	152571-61-4
PubChem CID	94358
UN Number	2924
分子量	257.4
Beilstein号	2050024
Reaxy-Rn	3607620

化学和物理性质

溶解性	Miscible with chloroform.
密度	0.969
敏感性	对热及湿度敏感
折光率	1.384
闪点(℉)	42.8 °F
闪点(℃)	24 °C
沸点	142°C
熔点	-41°C(lit.)
分子量	257.399 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	5
可旋转键计数Rotatable Bond Count	3
精确质量Exact Mass	257.088 Da
单同位素质量Monoisotopic Mass	257.088 Da
拓扑极表面积Topological Polar Surface Area	21.600 Å²
重原子数Heavy Atom Count	15
形式电荷Formal Charge	0
复杂度Complexity	250.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	1
所有立体化学键的总数The total count of all stereochemical bonds	1
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07, GHS02
信号词	Warning
危险声明	H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 H314: 造成严重的皮肤灼伤和眼睛损伤 H225: 高度易燃的液体和蒸气 H226: 易燃液体和蒸气
预防措施声明	P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P370+P378: 火灾时：使用干砂、干粉或抗醇泡沫灭火。 P210: 远离热源，热表面，火花，明火和其他点火源。 - 禁止抽烟。 P302+P352: 如皮肤沾染：用水充分清洗。 P321: 特殊处理（请参阅此标签上的...）。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P233: 保持容器密闭。 P240: 地面/粘结容器和接收设备 P264: 处理后要彻底洗手。 P403+P235: 存放在通风良好的地方。保持低温。 P260: 不要吸入灰尘/烟雾/气体/雾/蒸汽/喷雾。 P303+P361+P353: 如皮肤（或头发）沾染：立即脱掉所有沾染的衣服。用水清洗皮肤/淋浴。 P271: 仅在室外或通风良好的地方使用。 P241: 使用防爆的[电气/通风/照明/.../]设备。 P301+P330+P331: 如误吞咽：漱口。不要诱导呕吐。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P363: 再次使用之前，请清洗受污染的衣物。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P242: 仅使用无火花的工具。 P243: 采取防静电措施 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P305+P354+P338: 如果进入眼睛：立即用水冲洗几分钟。取下隐形眼镜（如果有的话），并且操作简单。继续冲洗。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P302+P361+P354: 如果接触皮肤：立即脱掉所有被污染的衣服。立即用水冲洗几分钟。 P316: 立即寻求紧急医疗救助。 P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany	3
Reaxy-Rn	3607620
个人防护装备	Faceshields,full-face respirator (US),Gloves,Goggles,multi-purpose combination respirator cartridge (US),type ABEK (EN14387) respirator filter

技术规格说明书

Purity(GC)	98-100（%）
Appearance（B118472)	Colorless Liquid
GC derivatization test	pass
Infrared spectrum	Conforms to Structure
Proton NMR spectrum	Conforms to Structure

技术规格说明书

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找到27个结果

批号(Lot Number)	证书类型	日期	货号
G2320346	分析证书	25-04-18	B118472
G2320350	分析证书	25-04-09	B118472
A2508289	分析证书	24-12-14	B118472
A2508290	分析证书	24-12-14	B118472
A2508291	分析证书	24-12-14	B118472
A2508292	分析证书	24-12-14	B118472
L2402031	分析证书	24-08-29	B118472
I2407042	分析证书	24-08-29	B118472
I2407032	分析证书	24-08-29	B118472
I2407029	分析证书	24-08-29	B118472
I2407025	分析证书	24-08-29	B118472
E2417109	分析证书	24-05-09	B118472
E2417110	分析证书	24-05-09	B118472
E2417111	分析证书	24-05-09	B118472
E2417108	分析证书	24-05-09	B118472
E2417107	分析证书	24-05-09	B118472
C2414209	分析证书	23-11-18	B118472
C2414208	分析证书	23-11-18	B118472
C2414207	分析证书	23-11-18	B118472
C2414174	分析证书	23-11-18	B118472
G2320354	分析证书	23-07-14	B118472
G2320361	分析证书	23-07-14	B118472
G2206064	分析证书	22-06-28	B118472
G2206065	分析证书	22-06-28	B118472
G2206100	分析证书	22-06-28	B118472
G2206102	分析证书	22-06-28	B118472
A2219167	分析证书	22-01-27	B118472

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参考文献

1. Yunping Yao, Tianliang Wang, Zhiyuan Qiang, Wenqi Du, Changmo Li. (2024) Mechanisms of the Formation of Nonvolatile and Volatile Oxidation Products from Methyl Linoleic Acid at High Temperatures. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 72 (1): (704–714). [PMID:38131267] [10.1021/acs.jafc.3c04405]
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