D-Camphorsulfonic Acid

HCID 65617CAS 3144-16-9

基本情報

標準SMILES: CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2
InChIKey: MIOPJNTWMNEORI-GMSGAONNSA-N
分子式: C10H16O4S
平均分子量: 232.3 g/mol
単同位体質量: 232.07692999

概要

(S)-camphorsulfonic acid is the S enantiomer of camphorsulfonic acid. It is a conjugate acid of a (S)-camphorsulfonate. It is an enantiomer of a (R)-camphorsulfonic acid.

名称と識別子

優先名称: D-Camphorsulfonic Acid
IUPAC: [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid

名称と別名

Reychler's acidd-Camphorsulfonic acidCamphersulfosaeured-camphor sulfonic acidCamphorsulfonic acid, d-Camphersulfosaeure [German]9TLZ01S15L2-Oxobornane-10-sulphonic acidDL-6-Oxobornane-10-sulphonic acidEINECS 221-554-1D8D049375QAI3-23953

名称をさらに表示

D-CAMPHORSULFONIC ACID [MI]CAMPHORSULFONIC ACID, (+)-CAMPHORSULFONIC ACID [WHO-DD]D-CAMPHOR SULFONIC ACID [USP-RS]VORICONAZOLE IMPURITY E [EP IMPURITY]Bicyclo(2.2.1)heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-CamphostylBicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-

データベース識別子

CAS: 3144-16-9、5872-08-2
PubChem CID: 65617
DTXSID: DTXSID00883956
ChEBI: CHEBI:55403
UNII: 9TLZ01S15L、D8D049375Q
EC Number: 221-554-1、227-527-0
Nikkaji: J9.522B

物性

構造計算による物性

XLogP: 0.5
極性表面積: 79.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 404

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids

SpringerMaterials PropertiesDiamagnetic susceptibility

Vapor Pressure0.00000007 [mmHg]

Physical DescriptionSolid; Deliquescent in moist air; [Merck Index] White hygroscopic powder; [Alfa Aesar MSDS]

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 70 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 14.3% (8 of 56) of reports.

Danger

危険有害性情報

Regulatory Information · 4 件

Status: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19527

Status: Active Update: 18-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17113

Bicyclo2.2.1heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-: Does not have an individual approval but may be used under an appropriate group standard

(1S)-(+)-Camphor-10-sulphonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySubcutaneous LD50 (mouse) = 2,502 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 件

Skin Corr. 1B (100%)

Skin Corr. 1B (85.7%)