부틸프탈이미드

N-Butylphthalimide

HCID 73812CAS 1515-72-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCN1C(=O)c2ccccc2C1=O
InChIKey: DLKDEVCJRCPTLN-UHFFFAOYSA-N
분자식: C12H13NO2
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.09462866

이름 및 식별자

우선 이름: N-Butylphthalimide
IUPAC: 2-butylisoindole-1,3-dione
현지명: 부틸프탈이미드
영어명: N-Butylphthalimide
분자식: C12H13NO2
분자량: 203.24

이름 및 동의어

N-Butylphthalimide1515-72-6N-(n-Butyl)Phthalimide1-Phthalimidobutane1H-Isoindole-1,3(2H)-dione, 2-butyl-2-Butyl-1H-isoindole-1,3(2H)-dionebutylphthalimideN-n-ButylphthalimideDTXSID8044591UNII-5TH1DKT35E5TH1DKT35ENSC 3559

이름 더 보기

부틸프탈이미드2-Butylisoindoline-1,3-dioneBUTYL PHTHALIMIDEN-Buthlphthalimiden-Butyl PhthalaMideN-N-BUTYLPHTALIMIDEN-buthlphthalimide (B)LABOTEST-BB LT00455650

NSC-3559EINECS 216-157-5AI3-02418DTXCID6024591RefChem:163065BUTYLPHTHALIMIDE [INCI]216-157-5DLKDEVCJRCPTLN-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 1515-72-6
PubChem CID: 73812
DTXSID: DTXSID8044591
ChEMBL: CHEMBL79250
UNII: 5TH1DKT35E
EC Number: 216-157-5
Nikkaji: J151.140H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 251

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: 29 · 29-33 °C
끓는 점: 120 · 120-123°C 5mm
밀도: 1.1255 · 1.1255 (rough estimate)
굴절률: 1.526 · 1.5260 (estimate)
인화점: 120 · 120-123°C/5mm
저장 조건: Store at room temperature
산도 계수 (pKa): -2.09 · -2.09±0.20(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
BRN: 147784 · 147784
화장품 원료 기능: 피부 컨디셔닝가소제
InChI: InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChIKey: DLKDEVCJRCPTLN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCCC
LogP: 3.15 · 3.150 (est)
EPA: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-butyl- (1515-72-6)

화학적 성질

slight yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 12.1% (8 of 66) of reports.

Warning

H302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 66 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1H-Isoindole-1,3(2H)-dione, 2-butyl-

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

1H-Isoindole-1,3(2H)-dione, 2-butyl-: 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.

Hazard Classes and CategoriesAcute Tox. 4 (18.2%)