Chloromethylphthalimide (HCID 87154)

이름 및 식별자

우선 이름: Chloromethylphthalimide
IUPAC: 2-(chloromethyl)isoindole-1,3-dione
영어명: N-(Chloromethyl)phthalimide
분자식: C9H6ClNO2
분자량: 195.6

이름 및 동의어

17564-64-6N-(Chloromethyl)phthalimideChloromethylphthalimide1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-N-Chloromethyltrimellitimide2-(Chloromethyl)-1H-isoindole-1,3(2H)-dionePhthalimide, N-(chloromethyl)-Phthalimide, N-chloromethyl-CCRIS 7991DTXSID3027790EINECS 241-541-4NSC 29558

이름 더 보기

AKOS BBS-00000871TIMTEC-BB SBB000346N-(Chloromethyl)phthalimide,97%N-(Chloromethyl)phthalimide 97%N-(Chloromethyl)phthalimide, 98+%

N45CYY145ENSC-29558DTXCID807790PHTHALIMIDOMETHYL CHLORIDENChloromethylphthalimideRefChem:575906Phthalimide, NchloromethylPhthalimide, N(chloromethyl)

데이터베이스 식별자

CAS: 17564-64-6
PubChem CID: 87154
DTXSID: DTXSID3027790
ChEMBL: CHEMBL369138
UNII: N45CYY145E
EC Number: 241-541-4
Nikkaji: J26.866F

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 230

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Rings

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionWhite powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 131 · 131-135 °C (lit.)
끓는 점: 305.2 · 305.2±25.0 °C(Predicted)
밀도: 1.3228 · 1.3228 (rough estimate)
굴절률: 1.579 · 1.5790 (estimate)
저장 조건: 2 · 2-8°C
용해도: 50 mg/mL · 클로로포름: 용해성50mg/mL
물리적 상태: powder to crystal
산도 계수 (pKa): -2.63 · -2.63±0.20(Predicted)
색상: 흰색에서 거의 흰색
수용성: 약간 용해됨
BRN: 140942 · 140942
InChI: InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
InChIKey: JKGLRGGCGUQNEX-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=CC=C2)C(=O)N1CCl
NIST: N-(chloromethyl)phthalimide(17564-64-6)
EPA: 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)- (17564-64-6)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Phthalimide. See 1,2,3,6-Tetrahydrophthalimide and Folpet.

Hazard Classes and CategoriesAcute Tox. 3 (88.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1 / PGIII
HS 번호: 29251995
risk_code: 36/37/38-52/53-43-22
hazard_code: Xi,Xn
safety_code: 26-36-37/39-61-45
F 고인화성물질: 9-21
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-: ACTIVE

응용 분야 · 1건

용도N-(Chloromethyl)phthalimide is used as an agrochemical and medicine intermediates and is used in organic synthesis. Microporous membranes prepared from chemically modified polysulfone, which is a derivative of this compound have better streaming potential.