Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)

HCID 85606CAS 16836-95-6

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.[Ag+]
InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M
분자식: C7H7AgO3S
평균 분자량: 279.06 g/mol
단동위원소 질량: 277.91668708

이름 및 식별자

우선 이름: Benzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)
IUPAC: silver 4-methylbenzenesulfonate
영어명: Silver p-toluenesulfonate
분자식: C7H7AgO3S
분자량: 279.06

이름 및 동의어

Silver p-toluenesulfonateSilver tosylateSilver p-toluenesulphonateSilver p-tosylateNSC 231877p-Toluenesulfonic acid, silver(1+) saltEINECS 240-859-0Silver p-methylbenzenesulfonateBenzenesulfonic acid, 4-methyl-, silver(1+) saltBenzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1)DTXSID9066122RefChem:564662

이름 더 보기

ver p-toLsilver(i) tosylateSilver p-tolylsulfonateSILVER 4-TOLUENESULFONATESILVER TOLUENE-4-SULFONATE

DTXCID0035401240-859-016836-95-6Silver(I) 4-methylbenzenesulfonatep-Toluenesulfonic acid silver saltsilver 4-methylbenzenesulfonateMFCD00007511silver;4-methylbenzenesulfonate

데이터베이스 식별자

CAS: 16836-95-6
PubChem CID: 85606
DTXSID: DTXSID9066122
EC Number: 240-859-0
Nikkaji: J236.866H

물성

구조 계산 물성

극성 표면적: 65.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 193

물리화학적 성질

녹는점: 264 · 264-266℃ (decomposition)
저장 조건: 30 °C · Store below +30°C.
용해도: sol acetonitrile, diethyl ether, water
물리적 상태: 가루
수용성: 물에 용해됩니다.
BRN: 3598937 · 3598937
주요 응용: PEM 연료 전지재료 합성 전구체
InChI: 1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M
SMILES: [Ag+].Cc1ccc(cc1)S([O-])(=O)=O
EPA: 4 · Benzenesulfonic acid, 4-methyl-, silver(1+) salt (16836-95-6)

화학적 성질

WHITE TO LIGHT GREY CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenesulfonic acid, 4-methyl-, silver(1+) salt

Benzenesulfonic acid, 4-methyl-, silver(1+) salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 2843290000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 9
F 고인화성물질: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonic acid, 4-methyl-, silver(1+) salt (1:1): ACTIVE

응용 분야 · 1건

용도Silver p-toluenesulfonate is used to converts alkyl halides to tosylates, and benzyl selenyl chlorides into their corresponding selenyl tosylates. It used in promotion of the leaving ability of halogens. For use in the conversion of alkyl halides to alkyl tosylates.