2,4,6-트리아이소프로필벤젠설포닐 염화물

2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride

HCID 81042CAS 6553-96-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1
InChIKey: JAPYIBBSTJFDAK-UHFFFAOYSA-N
분자식: C15H23ClO2S
평균 분자량: 302.9 g/mol
단동위원소 질량: 302.11072866

이름 및 식별자

우선 이름: 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride
IUPAC: 2,4,6-tri(propan-2-yl)benzenesulfonyl chloride
현지명: 2,4,6-트리아이소프로필벤젠설포닐 염화물
영어명: 2,4,6-Triisopropylbenzenesulfonyl chloride
분자식: C15H23ClO2S
분자량: 302.86

이름 및 동의어

2,4,6-Triisopropylbenzenesulfonyl chloride6553-96-42,4,6-Triisopropylbenzenesulphonyl chloride4QZ3QZX6G4NSC-102803DTXSID302158272,4,6-TRIS(1-METHYLETHYL)BENZENESULFONYL CHLORIDERefChem:821302,4,6-TIPBSDTXCID60138318229-479-62,4,6-triisopropylbenzene-1-sulfonyl chloride

이름 더 보기

2,4,6-트리아이소프로필벤젠설포닐염화물2,4,6-트리아이소프로필벤젠설포닐염화물(2,4,6-TRIISOPROPYLBENZENESULFONYLCHL...TPSCLTPS2,4,6-Triisopropylphenylsulfonyl chlorideTIMTEC-BB SBB001244LABOTEST-BB LT00233201TRI ARYL SULFONIUM CHLORIDE

Trisyl chlorideMFCD00007433Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-2,4,6-tri(propan-2-yl)benzenesulfonyl chloride2,4,6-tris(propan-2-yl)benzene-1-sulfonyl chloride2,4,6-TriisopropylbenzenesulfonylchlorideBenzenesulfonyl chloride, 2,4,6-triisopropyl-C15H23ClO2S

데이터베이스 식별자

CAS: 6553-96-4
PubChem CID: 81042
DTXSID: DTXSID30215827
UNII: 4QZ3QZX6G4
EC Number: 229-479-6
Nikkaji: J124.143E

물성

구조 계산 물성

XLogP: 5.3
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 363

물리화학적 성질

녹는점: 92 · 92-94 °C (lit.)
끓는 점: 378 C · 378C
밀도: 1.1012 · 1.1012 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 50 mg/mL, · 에탄올: 50mg/mL, 투명
물리적 상태: 결정질 고체
색상: 흰색에서 약간 베이지색
수용성: 물에서 분해되다
BRN: 1218575 · 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

GHS Classification · 4건

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 51 reports by companies from 6 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenesulfonyl chloride, 2,4,6-tris(1-methylethyl)-

Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/31763

2,4,6-Triisopropylbenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29049020
risk_code: 34-29
hazard_code: C
safety_code: 26-36/37/39-45-27
포장분류: II
위험 등급: 8
기존화학 물질: KE-34323
F 고인화성물질: 21
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도2,4,6-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.