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N-페닐말레이미드

N-Phenylmaleimide

HCID 13662
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
941-69-5
표준 SMILES
O=C1C=CC(=O)N1c1ccccc1
InChIKey
HIDBROSJWZYGSZ-UHFFFAOYSA-N
분자식
C10H7NO2
평균 분자량
173.17 g/mol
단동위원소 질량
173.04767847

개요

N-phenylmaleimide appears as yellow needles. (NTP, 1992)

이름 및 식별자

우선 이름
N-Phenylmaleimide
IUPAC
1-phenylpyrrole-2,5-dione
현지명
N-페닐말레이미드
영어명
N-Phenylmaleimide
분자식
C10H7NO2
분자량
173.17

이름 및 동의어

N-Phenylmaleimide941-69-5Maleanil1-Phenyl-1H-pyrrole-2,5-dioneMaleimidobenzene1H-Pyrrole-2,5-dione, 1-phenyl-MALEIMIDE, N-PHENYL-DTXSID00412749U9KT462VWNSC-8183DTXCID8021274RefChem:830997
이름 더 보기
N-페닐말레이미드N-PMIphenylmaleimideN-PhenylmaleimidN-Phenylmaleinimide1-PHENYL-PYRROLE-2,5-DIONEPMICASImilexP
213-382-01-phenylpyrrole-2,5-dioneMaleinanil1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dioneN-phenyl maleimideN-Fenylimid kyseliny maleinoveNSC 8183MFCD00005502

데이터베이스 식별자

CAS
941-69-5
PubChem CID
13662
DTXSID
DTXSID0041274
ChEMBL
CHEMBL76012
ChEBI
CHEBI:230728
UNII
9U9KT462VW
EC Number
213-382-0
Nikkaji
J7.180C

물성

구조 계산 물성보충 중

XLogP
1.1
극성 표면적
37.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
13
형식 전하
0
복잡도
246

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
LogP1.09
SolubilitySparingly soluble (NTP, 1992)
Boiling Point324 °F at 12 mmHg (NTP, 1992)
Melting Point192 to 194 °F (NTP, 1992)
Physical Description · 2건

N-phenylmaleimide appears as yellow needles. (NTP, 1992)

Other Solid

Collision Cross Section135.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0041274]

물리화학적 성질

녹는점
85 · 85-87 °C (lit.)
끓는 점
162 · 162-163 °C/12 mmHg (lit.)
밀도
1.2427 · 1.2427 (rough estimate)
증기압
0.021 Pa · 0.021Pa at 25℃
굴절률
1.52 · 1.5200 (estimate)

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 137 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

유해성 정보

Regulatory Information · 4건

Chemical: 1H-Pyrrole-2,5-dione, 1-phenyl-

1H-Pyrrole-2,5-dione, 1-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Pyrrole-2,5-dione, 1-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: N-phenylmaleimide (EC: 213-382-0)

1H-Pyrrole-2,5-dione, 1-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation.
Reactive GroupAmides and Imides
Reactivity Profile · 1건

N-PHENYLMALEIMIDE is an imide. 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).

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb
Industry UsesMonomers
General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

1H-Pyrrole-2,5-dione, 1-phenyl-: ACTIVE

응용 분야

용도N-phenylmaleimide can be used as cross-linking agent in rubber vulcanization, can improve the heat resistance, impact resistance, hot melt processability. Also be used to produce heat-resistant polymers.

일반 설명Yellow needles.

상·하류 제품 정보

하류 제품

23-디클로로-N-페닐말레이미드3-브로모-1-페닐-1H-피롤-2,5-디온5-벤질-2-페닐테트라하이드로피롤로[3,4-c]피롤-1,3-디온2-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

관련 반응

37건
반응 기록 만들기
HRID 25355 반응식
HRID 25355생성물로uspto-grants-2005_02
HRID 65605 반응식
HRID 65605생성물로uspto-grants-1978_12
HRID 247614 반응식
HRID 247614반응물로uspto-grants-1987_11
HRID 257550 반응식
HRID 257550반응물로uspto-grants-1993_11
HRID 262421 반응식
HRID 262421생성물로uspto-grants-1979_05
HRID 263096 반응식
HRID 263096반응물로uspto-grants-1979_05
HRID 274986 반응식
HRID 274986반응물로uspto-grants-1995_02
HRID 296768 반응식
HRID 296768반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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화합물 노트

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더보기
새 노트새 반응견적 요청하기
인화점
162 · 162-163°C/12mm
저장 조건
Sealed in dry,Room Temperature
용해도
815 g/l · 815g/l 불용성
산도 계수 (pKa)
-0.81 · -0.81±0.20(Predicted)
물리적 상태
결정질 분말 또는 플레이크
색상
노란색
수용성
물(약간 용해됨), 메탄올, 에탄올, 벤젠에 용해됩니다.
Merck
14 · 14,7299
BRN
125098 · 125098
InChI
1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InChIKey
HIDBROSJWZYGSZ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c2ccccc2
LogP
1.16 at · 1.16 at 25℃
NIST
N-Phenylmaleimide(941-69-5)
EPA
N-Phenylmaleimide (941-69-5)

화학적 성질

yellow crystalline powder or needles

Air and Water ReactionsSparingly water soluble (NTP, 1992).
Hazard Classes and Categories · 3건

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

Acute toxicity (Oral) - Category 3

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
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. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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

wgk
3
tsca
TSCA listed
rtecs
ON5950000
ridadr
UN 2811 6.1/PG 3
HS 번호
29251995
risk_code
25-36/37/38-23/24/25-50-43-41-38
hazard_code
T,Xi,N
safety_code
45-24/25-36/37/39-26-61-39-36/37
포장분류
III
위험 등급
6.1
기존화학 물질
KE-28389
F 고인화성물질
10-21
위험 참고 사항
Irritant
Hazard Classifications
Acute Tox. 3 OralAquatic Acute 1
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects