2,4,6-트리아이소프로필벤젠설포닐 염화물

2,4,6-트리아이소프로필벤젠설포닐염화물 · 2,4,6-트리아이소프로필벤젠설포닐염화물(2,4,6-TRIISOPROPYLBENZENESULFONYLCHL... · TPSCL · TPS · 2,4,6-Triisopropylphenylsulfonyl chloride · 2,4,6-Triisopropylbenzene-1-sulfonyl chloride · Trisyl chloride · 2,4,6-tris(propan-2-yl)benzene-1-sulfonyl chloride

https://huagongshe.com/ko/chemical/81042

식별자 및 물리적 특성

CAS No.	6553-96-4
분자식	C15H23ClO2S
평균 분자량	302.9 g/mol
단동위원소 질량	302.11072866 g/mol
SMILES	CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1
InChIKey	JAPYIBBSTJFDAK-UHFFFAOYSA-N
PubChem CID	81042
EC No.	229-479-6
DTXSID	DTXSID30215827
현지명	2,4,6-트리아이소프로필벤젠설포닐 염화물

화학 및 물리적 성질

XLogP	5.3
극성 표면적	42.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	19
형식 전하	0
복잡도	363
녹는점	92-94 °C (lit.)
끓는 점	378C
밀도	1.1012 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	에탄올: 50mg/mL, 투명
물리적 상태	결정질 고체
색상	흰색에서 약간 베이지색
용해도	물에서 분해되다
BRN	1218575
InChI	InChI=1S/C15H23ClO2S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3
InChIKey	JAPYIBBSTJFDAK-UHFFFAOYSA-N
SMILES	C1(S(Cl)(=O)=O)=C(C(C)C)C=C(C(C)C)C=C1C(C)C

화학적 성질

White to cream solid

안전 및 규제

GHS 분류	DangerH314 (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 51 reports by companies from 6 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/317632,4,6-Triisopropylbenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Corr. 1B (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 3261 8/PG 2
관세 코드	29049020
위험 문구(R)	34-29
위험 표시	C
안전 문구(S)	26-36/37/39-45-27
포장분류	II
위험 등급	8Skin Corr. 1B
기존화학 물질	KE-34323
F 고인화성물질	21
위험 참고 사항	Corrosive
저장 분류	8A - Combustible corrosive hazardous materials

용도

2,4,6-Triisopropylbenzenesulfonyl chloride is used for the synthesis of glycerophospholipids as a condensing agent and in the analysis of phosphonolipids in egg yolk by HPLC/MS technique. It acts as a coupling reagent for the synthesis of oligonucleotides and as sulfonates of pyrimidine nucleosides. It also serves as a condensing agent in the synthesis of hydrogen-phosphonate diesters.