4-(메틸술포닐)벤질알코올

(4-Methanesulfonylphenyl)methanol

HCID 3801026CAS 22821-77-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc(CO)cc1
InChIKey: LUECCFBGAJOLOX-UHFFFAOYSA-N
분자식: C8H10O3S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.03506518

이름 및 식별자

우선 이름: (4-Methanesulfonylphenyl)methanol
IUPAC: (4-methylsulfonylphenyl)methanol
현지명: 4-(메틸술포닐)벤질알코올
영어명: 4-(Methylsulfonyl)benzyl alcohol
분자식: C8H10O3S
분자량: 186.23

이름 및 동의어

(4-methanesulfonylphenyl)methanolRefChem:402910676-333-64-(Methylsulfonyl)benzyl Alcohol22821-77-8(4-methylsulfonylphenyl)methanol(4-(Methylsulfonyl)phenyl)methanolMFCD03425695P-(METHYLSULFONYL)BENZYL ALCOHOL[4-(methylsulfonyl)phenyl]methanolBenzenemethanol, 4-(methylsulfonyl)-4-(Methylsulfonyl)benzylAlcohol

이름 더 보기

4-(메틸술포닐)벤질알코올RARECHEM AL BD 06064-(Methylsulfonyl)benzenemethanolBenzenemethanol,4-(methylsulfonyl)-

SCHEMBL96650SCHEMBL96651Benzenemethanol, 4-(methylsu4-(methylsulfonyl)phenylmethanol4-(methanesulfonyl)benzyl alcoholDTXSID80396615LUECCFBGAJOLOX-UHFFFAOYSA-NXAA82177

데이터베이스 식별자

CAS: 22821-77-8
PubChem CID: 3801026
DTXSID: DTXSID80396615
EC Number: 676-333-6
Nikkaji: J1.923.973J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 62.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 82 · 82-84°C
끓는 점: 391.9 · 391.9±34.0 °C(Predicted)
밀도: 1.284 · 1.284
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.74 · 13.74±0.10(Predicted)

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.