페닐비닐설폰산염

Phenyl ethenesulfonate

HCID 564920CAS 1562-34-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CS(=O)(=O)Oc1ccccc1
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
분자식: C8H8O3S
평균 분자량: 184.21 g/mol
단동위원소 질량: 184.01941529

이름 및 식별자

우선 이름: Phenyl ethenesulfonate
IUPAC: phenyl ethenesulfonate
현지명: 페닐비닐설폰산염
영어명: Phenyl vinylsulfonate
분자식: C8H8O3S
분자량: 184.21

이름 및 동의어

phenyl ethenesulfonatePhenyl vinylsulfonatephenyl ethene-1-sulfonateEthenesulfonic acid, phenyl esterHN14RW9PVPUNII-HN14RW9PVPDTXSID10340464RefChem:172957DTXCID30291545625-763-2CILDJVVXNMDAGY-UHFFFAOYSA-N1562-34-1

이름 더 보기

페닐비닐설폰산염Phenyl vinylsulfonate 95%VINYLSULFONIC ACID PHENYL ESTEREthene-1-sulfonic acid phenyl esterPhenyl ethylenesulfonate, Vinylsulfonic acid phenyl ester

Phenyl ethylenesulfonateEthenesulfonic acid phenyl esterMFCD00012206Phenyl vinylsulfonate, 95%BAA56234CS-W004160DB08433s10559

데이터베이스 식별자

CAS: 1562-34-1
PubChem CID: 564920
DTXSID: DTXSID10340464
UNII: HN14RW9PVP
EC Number: 625-763-2
Nikkaji: J265.460A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 232

물리화학적 성질

녹는점: 38 · 38-42 °C(lit.)
끓는 점: 44 · 44-46 °C2 mm Hg(lit.)
밀도: 1.3761 · 1.3761 (rough estimate)
굴절률: 1.5151 · 1.5151 (estimate)
인화점: 230 °F · >230 °F
저장 조건: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 2044718 · 2044718
안정성: 감광성
InChI: 1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
SMILES: C=CS(=O)(=O)Oc1ccccc1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
ridadr: 1759
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
포장분류: III
위험 등급: 8
F 고인화성물질: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명Phenyl vinylsulfonate is an ester. Palladium complex derived from a tetraphosphine-catalyzed Heck vinylation of phenyl vinylsulfonate was reported. Phenyl vinyl sulfonate reacts with various alkyl furan derivatives to yield the corresponding cycloadducts.