Oxiranemethanol, 4-methylbenzenesulfonate, (S)-

HCID 153296CAS 70987-78-9

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)OC[C@@H]2CO2)cc1
InChIKey: NOQXXYIGRPAZJC-VIFPVBQESA-N
분자식: C10H12O4S
평균 분자량: 228.27 g/mol
단동위원소 질량: 228.04563003

이름 및 식별자

우선 이름: Oxiranemethanol, 4-methylbenzenesulfonate, (S)-
IUPAC: [(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonate

이름 및 동의어

(S)-Glycidyl tosylateCCRIS 6400BRN 3592143Oxiranemethanol, 4-methylbenzenesulfonate, (S)-EC 417-210-7oxiranemethanol, 4-methylbenzene-sulfonate, (S)-(2S)-(+)-Glycidyl p-ToluenesulfonateRefChem:857750417-210-7627-364-970987-78-9(2S)-(+)-Glycidyl tosylate

이름 더 보기

(S)-(+)-Oxirane-2-methanol p-toluenesulfonate(+)-Glycidyl tosylate[(2S)-oxiran-2-yl]methyl 4-methylbenzenesulfonateMFCD00064489(2S)-Glycidyl tosylate(2S)-Oxiran-2-ylmethyl 4-methylbenzenesulfonate(2S)-(+)-Glycidyltosylate(S)-Glycidyltosylate

데이터베이스 식별자

CAS: 70987-78-9
PubChem CID: 153296
DTXSID: DTXSID601029330
ChEMBL: CHEMBL1986003
UNII: 5R5A4KBQ99
EC Number: 417-210-7、627-364-9
Nikkaji: J523.141H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 64.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 298

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]；H350: May cause cancer [Danger Carcinogenicity]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P203, P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory Information · 2건

Hazard Traits - Carcinogenicity；Authoritative List - EC Annex VI CMRs - Cat. 1B；Report - if used as a fragrance or flavor ingredient

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2748

Hazard Classes and Categories · 5건

Skin Sens. 1 (66.7%)；Eye Dam. 1 (66.7%)；Muta. 2 (66.7%)；Carc. 1B (66.7%)；Aquatic Chronic 2 (66.7%)

Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Muta. 2 (100%)；Carc. 1B (100%)；Aquatic Chronic 2 (100%)

Carcinogenicity - category 1B；Germ cell mutagenicity - category 2；Eye damage - category 1；Skin sensitisation - category 1；Hazardous to the aquatic environment (chronic) - category 2

Germ cell mutagenicity - Category 2

Carc. 1B；Muta. 2；Eye Dam. 1；Skin Sens. 1；Aquatic Chronic 2