ジメチルアミノ硫黄トリフルオリド

Sulfur, trifluoro(N-methylmethanaminato)-

HCID 123203

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 3880-03-3
標準SMILES: CN(C)S(F)(F)F
InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N
分子式: C2H6F3NS
平均分子量: 133.14 g/mol
単同位体質量: 133.01730485

名称と識別子

優先名称: Sulfur, trifluoro(N-methylmethanaminato)-
IUPAC: N-methyl-N-(trifluoro-λ4-sulfanyl)methanamine
現地名: ジメチルアミノ硫黄トリフルオリド
英語名: DIMETHYLAMINOSULFUR TRIFLUORIDE
分子式: C2H6F3NS
分子量: 133.14

名称と別名

3880-03-3(Dimethylamino)sulfur trifluorideSulfur, trifluoro(N-methylmethanaminato)-DTXSID30192068Trifluoro(N-methylmethanaminato)sulfurRefChem:889728DTXCID40114559627-719-8Dimethylaminosulfur trifluorideMethyl DASTN-methyl-N-(trifluoro-lambda4-sulfanyl)methanamineC2H6F3NS

名称をさらに表示

ジメチルアミノ硫黄トリフルオリド(ジメチルアミノ)硫黄トリフルオリドDIMETHYLAMINOSULPHUR TRIFLUORIDEDimethylaminosulphurtrifluoride97%Dimethylaminosulphur trifluoride 97%Dimethylaminosulfur trifluorideMethyl DASTSulfur, trifluoro(N-methylmethanaminato)-, (T-4)-N-methyl-N-(trifluoro-$l^{4}-sulfanyl)methanamine

SCHEMBL64578Dimethylamino sulfur trifluoride(dimethylamino)-sulfur trifluoride(Dimethylamino)trifluorosulfur(IV)MFCD00009900SBB085832(N,N-Dimethylamino)sulfur trifluorideAKOS015894993

データベース識別子

CAS: 3880-03-3
PubChem CID: 123203
DTXSID: DTXSID30192068
EC Number: 627-719-8
Nikkaji: J657.486F

物性

構造計算による物性

XLogP: 2.8
極性表面積: 4.2 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 58.4

実験および物理化学的性質

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

物理化学的性質

融点: -78.7 °C · -78.7 °C (lit.)
沸点: 117.5 °C · 117.5 °C (lit.)
比重(密度): 1.364 g/mL · 1.364 g/mL at 25 °C (lit.)
闪点: 50 °F · 50 °F
貯蔵温度: 2 · 2-8°C
外見: 液体
酸解離定数(Pka): -5.36 · -5.36±0.70(Predicted)
BRN: 1901089 · 1901089
InChI: 1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3
InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N
SMILES: CN(C)S(F)(F)F

化学的性質

化学的特性clear fuming liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

F: 4.6
wgk: 3
ridadr: UN 2920 8/PG 1
hs_code: 29309099
risk_code: 11-20/21/22-35
hazard_code: F,C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用Fluorinating Agent used in the fluorination of compounds such asAlchols, aldehydes and ketonesFluorinated Podophyllotoxin derivativesProtected glycosyl fluorides from thioglycosides