N-Chlorophthalimide

HCID 18997CAS 3481-09-2

기본 정보

표준 SMILES: O=C1c2ccccc2C(=O)N1Cl
InChIKey: WDRFYIPWHMGQPN-UHFFFAOYSA-N
분자식: C8H4ClNO2
평균 분자량: 181.57 g/mol
단동위원소 질량: 180.99305605

이름 및 식별자

우선 이름: N-Chlorophthalimide
IUPAC: 2-chloroisoindole-1,3-dione
영어명: N-Chlorophthalimide
분자식: C8H4ClNO2
분자량: 181.58

이름 및 동의어

N-CHLOROPHTHALIMIDE3481-09-2EINECS 222-459-8NSC 76078DTXSID90188346RefChem:163115DTXCID20110837222-459-82-Chloroisoindoline-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-chloro-2-chloroisoindole-1,3-dioneMFCD00023027

이름 더 보기

ncpPhthalimidoyl chlorideN-Chlorophthalimide,95%N-Chlorophthalimide 96%

Phthalimide chloridePhthalimide, N-chloro-NSC76078NSC-76078CS-W016001Chlorophtalimiden-chlorphthalimid2-chloranylisoindole-1,3-dione

데이터베이스 식별자

CAS: 3481-09-2
PubChem CID: 18997
DTXSID: DTXSID90188346
UNII: QE46AJ59DY
EC Number: 222-459-8
Nikkaji: J208.214D

물성

구조 계산 물성

XLogP: 1.5
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: 217

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 188 · 188-198 °C (lit.)
끓는 점: 315.1 · 315.1±25.0 °C(Predicted)
밀도: 1.56 · 1.56±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to crystal
산도 계수 (pKa): -3.53 · -3.53±0.20(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C8H4ClNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
InChIKey: WDRFYIPWHMGQPN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1Cl

화학적 성질

White to pale yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

안전 데이터

wgk: 1
ridadr: 1759
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도N-Chlorophthalimide may be employed in the synthesis of:α-amino acetalα-amino nitro compoundsvicinal diamineα,β-unsaturated vicinal haloamino nitro compoundIt may also be used as a chlorination reagent for the synthesis of 3-(methylthio)oxindoles.

일반 설명N-Chlorophthalimide in anhydrous acetic acid serves as a useful oxidizing reagent for use in various direct titrimetric analyses. N-Chlorophthalimide can be synthesized by reacting phthalimide, t-butyl hypochlorite, water and t-butyl alcohol. It participates in the synthesis of 2-amino-3-benzoyl-α-(methylthio)phenylacetamide.