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프탈리미딘,2-(2,6-디옥소피페리덴-3-일).

3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione

HCID 91585
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
26581-81-7
표준 SMILES
O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1
InChIKey
WENKGSGGXGQHSH-UHFFFAOYSA-N
분자식
C13H12N2O3
평균 분자량
244.25 g/mol
단동위원소 질량
244.08479225

개요

Em-12 is a white crystalline powder. (NTP, 1992)

이름 및 식별자

우선 이름
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
IUPAC
3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
현지명
프탈리미딘,2-(2,6-디옥소피페리덴-3-일).
영어명
Phthalimidine, 2-(2,6-dioxopiperiden-3-yl).
분자식
C13H12N2O3
분자량
244.25

이름 및 동의어

26581-81-72-(2,6-dioxopiperidin-3-yl)phthalimidine3-(1,3-Dihydro-1-oxo-2h-isoindol-2-yl)-2,6-piperidinedione2-(1-Oxo-2-isoindolinyl)glutarimideGlutarimide, 2-(1-oxo-2-isoindolinyl)-DTXSID4010343233-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-dioxopiperidine2-(2,6-dioxopiperidine-3-yl)phthalimidineRefChem:452244DTXCID10213422Phthalimidinoglutarimide3-(1-oxoisoindolin-2-yl)piperidine-2,6-dione
이름 더 보기
프탈리미딘,2-(2,6-디옥소피페리덴-3-일).CID91585EM-12, 10 mM in DMSOThalidomide Impurity 42-(2,6-Dioxopiperiden-3-yl) phthalimidine
3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione2,6-Piperidinedione, 3-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-EM-12MFCD017483593-(1-Oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dioneem12CHEMBL304572Phthalimidine, 2-(2,6-dioxopiperiden-3-yl).

데이터베이스 식별자

물성

구조 계산 물성

XLogP
0.2
극성 표면적
66.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
18
형식 전하
0
복잡도
407

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point460 to 464 °F (NTP, 1992)
Physical DescriptionEm-12 is a white crystalline powder. (NTP, 1992)

물리화학적 성질

끓는 점
383.99 °C · 383.99°C (rough estimate)
밀도
1.265 · 1.2650 (rough estimate)
굴절률
1.53 · 1.5300 (estimate)
저장 조건
-20 °C · -20°C
용해도
5 mg/ml,DMF:PBS · DMF: 5 mg/ml,DMF:PBS (pH 7.2) (1:4): 0.2 mg/ml,DMSO: 1 mg/ml
물리적 상태
결정성 고체
산도 계수 (pKa)
10.7 · 10.70±0.40(Predicted)
색상
Off-white to gray
EPA
2 · 2-(1-Oxo-2-isoindolinyl)glutarimide (26581-81-7)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1건

EM-12 is an example of an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

화학 및 산업

응용 분야

일반 설명White crystalline powder.

공급사47 곳

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관련 반응

10건
반응 기록 만들기
HRID 429215 반응식
HRID 429215생성물로uspto-grants-2001_11
HRID 1016528 반응식
HRID 1016528생성물로uspto-grants-2002_11
HRID 1243542 반응식
HRID 1243542생성물로uspto-grants-2006_10
HRID 1249764 반응식
HRID 1249764생성물로uspto-grants-2002_01
HRID 1267852 반응식
HRID 1267852생성물로uspto-grants-2003_04
HRID 1693087 반응식
HRID 1693087생성물로uspto-grants-2012_04
HRID 1823820 반응식
HRID 1823820생성물로uspto-grants-2006_05
HRID 1866067 반응식
HRID 1866067생성물로uspto-grants-2009_12
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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
CAS
26581-81-7
PubChem CID
91585
DTXSID
DTXSID401034323
ChEMBL
CHEMBL304572
EC Number
848-178-6
Nikkaji
J53.848E
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
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