CAS 95-45-4 Dimethylglyoxime (HCID 135459645)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 95-45-4
표준 SMILES: CC(=NO)C(C)=NO
InChIKey: JGUQDUKBUKFFRO-UHFFFAOYSA-N
분자식: C4H8N2O2
평균 분자량: 116.12 g/mol
단동위원소 질량: 116.0585775

개요

RN given refers to parent cpd

이름 및 식별자

우선 이름: Dimethylglyoxime
IUPAC: N-(3-hydroxyiminobutan-2-ylidene)hydroxylamine
현지명: 디메틸글리옥심
영어명: Dimethylglyoxime
분자식: C4H8N2O2
분자량: 116.12

이름 및 동의어

Dimethylglyoxime95-45-42,3-Butanedione, dioximeDiacetyldioximeDTXSID2044393NSC-9RefChem:571275DTXCID601478640202-420-12971MFT1KYBiacetyl dioximeChugaev's reagent

이름 더 보기

다이메틸글리옥심디메틸글리옥심다이메틸글리옥심dimethyl-glyoximButane dioximebiacetyldioxime2,3-BUTENEDIONDIOXIMEyoximeDiactyldioximeMETHYL GLOXIME(CH3)2C2(NOH)2

Butanedione dioximeButane-2,3-dione dioxime2,3-Diisonitrosobutane2,3-Butanedione, 2,3-dioximeGlyoxime, dimethyl-2,3-Butanedione dioximeMFCD00002117Diacetyl Dioxime

데이터베이스 식별자

CAS: 95-45-4
PubChem CID: 135459645
DTXSID: DTXSID2044393
ChEMBL: CHEMBL3184098
EC Number: 202-420-1

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 112

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Oximes

Melting Point245.5 °C

Vapor Pressure0.00069 [mmHg]

Physical DescriptionCrystals soluble in ethanol and slightly soluble in water; [Sax] White powder; [MSDSonline]

물리화학적 성질

녹는점: 240 · 240-241 °C(lit.)
끓는 점: 217.15 °C · 217.15°C (rough estimate)
밀도: 1.2829 · 1.2829 (rough estimate)
굴절률: 1.488 · 1.4880 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 알코올, 아세톤, 에테르에 용해됨
산도 계수 (pKa): 1 · pK1:10.60 (25°C)
물리적 상태: 가루
색상: 흰색에서 황백색까지
냄새: 냄새 없는
수용성: 불용성
Merck: 14 · 14,3246

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.6% (1 of 61) of reports.

Danger

H228 (86.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P264, P270, P280, P301+P316, P321, P330, P370+P378, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2,3-Butanedione, dioxime

2,3-Butanedione, dioxime: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and eye irritant; Skin sensitization not reported; [MSDSonline]

Hazard Classes and CategoriesFlam. Sol. 2 (86.9%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

0.99 [mg/m3]

11 [mg/m3]

65 [mg/m3]

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: EK2975000
ridadr: UN 2926 6.1(4.1) / PGIII
HS 번호: 29280090
risk_code: 22-20/21/22-25-11
hazard_code: Xn,T,F
safety_code: 22-24/25-36-45

화학 및 산업

용도 및 제조

Uses · 1건

Metal indicators are organic compounds that form specifically colored metal ion complexes in aqueous media. These dye reactions can be employed for detection of the equivalence point in volumetry (complexometry), as well as for concentration determinations in colorimetry or photometry. Dimethylglyoxime is used for the photometric determination of Co, Fe, Ni, and Pd. [Ullmann]

General Manufacturing Information2,3-Butanedione, 2,3-dioxime: ACTIVE

응용 분야 · 2건

용도Dimethylglyoxime is used as nickel-specific complexing reagent; determination of palladium.

일반 설명Dimethylglyoxime (DMG) is a complexing ligand. Dimethylglyoxime forms a number of mixed ligand complexes with N-acetylglycine with metals such as VO(IV), Ni(II), Zn(II), Pd(II), Cd(II) and Pb(II). It is a useful reagent for the spectrophotometric determination of Co(II), Fe(II), Ni(II), Pd(II) and Re(VII).