4-メチルベンゼンスルホン酸3-クロロプロピル

3-Chloropropyl p-toluenesulfonate

HCID 69434CAS 632-02-0

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc(S(=O)(=O)OCCCCl)cc1
InChIKey: NQCQVNHLNXCSPY-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: 3-Chloropropyl p-toluenesulfonate
IUPAC: 3-chloropropyl 4-methylbenzenesulfonate
現地名: 4-メチルベンゼンスルホン酸3-クロロプロピル
英語名: 1-Chloro-3-(tolene-p-sulphonyloxy) propane
分子式: C10H13ClO3S
分子量: 248.73

名称と別名

3-chloropropyl 4-methylbenzenesulfonate3-Chloropropyl p-toluenesulfonate3-chloropropyl 4-methylbenzene-1-sulfonate1-Propanol, 3-chloro-, 1-(4-methylbenzenesulfonate)Y9AUH8WW2U3-CHLOROPROPYL TOSYLATENSC-8593-CHLOROPROPYL P-TOSYLATEDTXSID10883346O-(P-TOLYLSULFONYL)-3-CHLOROPROPANOLTOLUENE-4-SULFONIC ACID 3-CHLOROPROPYL ESTERRefChem:93536

名称をさらに表示

4-メチルベンゼンスルホン酸3-クロロプロピル3-CHLOROPROPYLTOSYLATETOLYL-(3-CHLOROPROPYL)-ETHER3-Chloropropylp-toluensulfonate3-CHLOROPROPYL-P-TOLUENESULFONATE3-(3-chloropropyl)-4-methylbenzenesulfonate4-Methylbenzenesulfonic acid 3-chloropropyl ester

DTXCID101022884660-172-3632-02-0MFCD000928811-Propanol, 3-chloro-, 4-methylbenzenesulfonate3-Chloropropyl-p-toluene sulfonate1-Chloro-3-(tolene-p-sulphonyloxy) propane1-Chloro-3-(tolene-p-sulphonyloxy)propane

データベース識別子

CAS: 632-02-0
PubChem CID: 69434
DTXSID: DTXSID10883346
UNII: Y9AUH8WW2U
EC Number: 660-172-3
Nikkaji: J421.519B

物性

構造計算による物性

XLogP: 2.4
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: 5
重原子数: 15
形式電荷: 0
複雑度: 263

物理化学的性質

沸点: 216 · 216-219 °C(Press: 17 Torr)
比重(密度): 1.2674 g/cm3 · 1.2674 g/cm3
貯蔵温度: 2 · 2-8°C
EPAの化学物質情報: 1 · 1-Propanol, 3-chloro-, 4-methylbenzenesulfonate (632-02-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.