CAS 550-44-7 N-Methylphthalimide (HCID 11074)

이름 및 식별자

우선 이름: N-Methylphthalimide
IUPAC: 2-methylisoindole-1,3-dione
영어명: N-Methylphthalimide
분자식: C9H7NO2
분자량: 161.16

이름 및 동의어

N-Methylphthalimide550-44-7Phthalimide, N-methyl-1H-Isoindole-1,3(2H)-dione, 2-methyl-N-methyl phthalimideEINECS 208-982-42-methyl-isoindole-1,3-dioneDTXSID5027198NSC 44059NSC-44059BRN 0124428AI3-01393

이름 더 보기

METHYL PHTHALIMIDET56 BVNVJ C1n-methyl-phthalimidPHTHALIMIDE-N-METHYLN-Methylphthalimide>MethylisoindolinedioneRivaroxaban Impurity 202-Methyl-1H-isoindole-1

647UP45J2U5-21-10-00273 (Beilstein Handbook Reference)DTXCID807198RefChem:830764208-982-42-Methylisoindoline-1,3-dione2-methylisoindole-1,3-dioneMFCD00023063

데이터베이스 식별자

CAS: 550-44-7
PubChem CID: 11074
DTXSID: DTXSID5027198
ChEMBL: CHEMBL172614
UNII: 647UP45J2U
EC Number: 208-982-4
Nikkaji: J1.112.734G、J113.035H

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 213

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

LogP1.31

Physical DescriptionDry Powder

Collision Cross Section129.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5027198]

물리화학적 성질

녹는점: 129 · 129-132 °C (lit.)
끓는 점: 286.05 °C · 286.05°C
밀도: 1.2443 · 1.2443 (rough estimate)
굴절률: 1.45 · 1.4500 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): -2.09 · -2.09±0.20(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
BRN: 124428 · 124428
InChI: InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1C
NIST: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-methyl-(550-44-7)
EPA: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-methyl- (550-44-7)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 1건

1H-Isoindole-1,3(2H)-dione, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindole-1,3(2H)-dione, 2-methyl- 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)

Hazard Classes and CategoriesSkin Irrit. 2 (98.6%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: TI5602700
HS 번호: 29251900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 7,800,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

1H-Isoindole-1,3(2H)-dione, 2-methyl-: ACTIVE

응용 분야 · 2건

용도Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene h and the selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one have been studied.

일반 설명Photoreduction of N-methylphthalimide (NMP) with 2,3-dimethyl-2-butene has been studied. The selective electroreduction of N-methylphthalimide to 3-hydroxy-2-methyl-isoindolin-1-one in ionic liquids and phenol as a proton donor under silent and ultrasonic conditions has been reported. Single electron transfer (SET)-induced photochemical reaction of NMP with silyl enol ether has been investigated. Nitration of NMP is reported to afford “exclusively” 3-nitro-derivative.