2-(Phenylsulfonyl)ethanol

HCID 30202CAS 20611-21-6

기본 정보

표준 SMILES: O=S(=O)(CCO)c1ccccc1
InChIKey: PQVYYVANSPZIKE-UHFFFAOYSA-N
분자식: C8H10O3S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.03506535

이름 및 식별자

우선 이름: 2-(Phenylsulfonyl)ethanol
IUPAC: 2-(benzenesulfonyl)ethanol
영어명: 2-(PHENYLSULFONYL)ETHANOL
분자식: C8H10O3S
분자량: 186.23

이름 및 동의어

2-(Phenylsulfonyl)ethanolETHANOL, 2-(PHENYLSULFONYL)-BRN 1952741Phenyl-2-hydroxyethyl sulfoneDTXSID901746234-06-00-01494 (Beilstein Handbook Reference)RefChem:84866DTXCID0097114626-035-7PQVYYVANSPZIKE-UHFFFAOYSA-N20611-21-62-(Benzenesulfonyl)ethanol

이름 더 보기

2-(Phenylsulfobyl)Ethanol2-(phenylsulfonyl)-ethano2-Hydroxyethylphenyl sulfone2-(Phenylsulfonyl)ethanol,97%Phenyl(2-hydroxyethyl) sulfone

2-benzenesulfonyl-ethanolFenyl-2-hydroxyethylsulfon2-(phenylsulphonyl)ethanolMFCD001341792-Phenylsulfonylethanol2-(Benzenesulfonyl)Ethan-1-Ol2-(phenylsulfonyl) ethanol2-(Phenylsulfonyl)-ethanol

데이터베이스 식별자

CAS: 20611-21-6
PubChem CID: 30202
DTXSID: DTXSID90174623
EC Number: 626-035-7
Nikkaji: J34.769H

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 209

물리화학적 성질

녹는점: 121.5 °C · 121.5 °C
끓는 점: 177 °C · 177 °C (2 mmHg)
밀도: 1.557 g/mL · 1.557 g/mL at 25 °C(lit.)
굴절률: 1.554 · 1.554-1.556
인화점: 113 °C · 113 °C
산도 계수 (pKa): 13.26 · 13.26±0.10(Predicted)
Specific Gravity: 1.557 · 1.557

화학적 성질

colorless to pale yellow liquid

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 41 reports by companies from 4 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.