4-メトキシ-2,3,6-トリメチルベンゼンスルホニルクロリド, TECH

4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride

HCID 562787

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 80745-07-9
標準SMILES: COc1cc(C)c(S(=O)(=O)Cl)c(C)c1C
InChIKey: DWLYVEYCCPEHLX-UHFFFAOYSA-N
分子式: C10H13ClO3S
平均分子量: 248.73 g/mol
単同位体質量: 248.0273931

名称と識別子

優先名称: 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
IUPAC: 4-methoxy-2,3,6-trimethylbenzenesulfonyl chloride
現地名: 4-メトキシ-2,3,6-トリメチルベンゼンスルホニルクロリド, TECH
英語名: 4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONYL CHLORIDE
分子式: C10H13ClO3S
分子量: 248.73

名称と別名

80745-07-94-Methoxy-2,3,6-trimethylbenzenesulfonyl chlorideDTXSID00340236RefChem:99569DTXCID20291317626-430-4DWLYVEYCCPEHLX-UHFFFAOYSA-N4-Methoxy-2,3,6-trimethylbenzene-1-sulfonyl chlorideMFCD000388464-methoxy-2,3,6-trimethyl-benzenesulfonyl chloride4-methoxy-2,3,6-trimethylphenylsulfonyl chlorideSCHEMBL248149

名称をさらに表示

4-メトキシ-2,3,6-トリメチルベンゼンスルホニルクロリド, TECH4-メトキシ-2,3,6-トリメチルベンゼンスルホニルクロリド, tech. 90%MTR-CLMTR CHLORIDE4-METHOXY-2,3,6-TRIMETHYLBENZENE-4-Methoxy-2,3,6-trimethylphenylaulfomyl chloride4-METHOXY-2,3,6-TRIMETHYLBENZENESULPHONYL CHLORIDEBenzenesulfonyl chloride, 4-methoxy-2,3,6-trimethyl-4-METHOXY-2,3,6-TRIMETHYLBENZENE-SULFONYL CHLORIDE 97+%Benzenesulfonyl chloride, 4-methoxy-2,3,6-trimethyl- (9CI)

SBB063084AKOS006222485DS-6170DB-056454CS-01870244-methoxy-2,3,6-trimethylphenylsulfonylchloridechloro(4-methoxy-2,3,6-trimethylphenyl)sulfone(4-methoxy-2,3,6-trimethylphenyl)sulfonylchloride

データベース識別子

CAS: 80745-07-9
PubChem CID: 562787
DTXSID: DTXSID00340236
EC Number: 626-430-4
Nikkaji: J2.344.895E

物性

構造計算による物性

XLogP: 3
極性表面積: 51.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 309

物理化学的性質

融点: 57 · 57-61 °C
沸点: 372.5 · 372.5±42.0 °C(Predicted)
比重(密度): 1.25 · 1.250±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
BRN: 4867665 · 4867665
主な用途: ペプチド合成
InChI: 1S/C10H13ClO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3
InChIKey: DWLYVEYCCPEHLX-UHFFFAOYSA-N
SMILES: COc1cc(C)c(c(C)c1C)S(Cl)(=O)=O
CAS データベース: 80745 · 80745-07-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.