2H-Isoindole-2-acetyl chloride, 1,3-dihydro-1,3-dioxo-

HCID 81242CAS 6780-38-7

기본 정보

표준 SMILES: O=C(Cl)CN1C(=O)c2ccccc2C1=O
InChIKey: RHZBRCQIKQUQHQ-UHFFFAOYSA-N
분자식: C10H6ClNO3
평균 분자량: 223.61 g/mol
단동위원소 질량: 223.00362073

이름 및 식별자

우선 이름: 2H-Isoindole-2-acetyl chloride, 1,3-dihydro-1,3-dioxo-
IUPAC: 2-(1,3-dioxoisoindol-2-yl)acetyl chloride
영어명: Phthalylglycyl chloride
분자식: C10H6ClNO3
분자량: 223.61

이름 및 동의어

6780-38-7Phthalimidoacetyl chloride2H-Isoindole-2-acetyl chloride, 1,3-dihydro-1,3-dioxo-EINECS 229-840-81,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetyl chlorideBRN 0183000DTXSID102180535-21-10-00440 (Beilstein Handbook Reference)NSC 401729RefChem:484293DTXCID30140544229-840-8

이름 더 보기

ADIN-005N-Phthalylglycyl chloridePhthalylglycyl chloride 96%Phthalylglycine acid chlorideN,N-Phthaloylglycine chloridePhthalyl-glycyl chloride ,98%2-(Phthalimidyl)acetyl chloride

Phthalylglycyl chloride2-(1,3-Dioxoisoindolin-2-yl)acetyl chloride(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl chloride2-(1,3-dioxoisoindol-2-yl)acetyl chlorideMFCD00192872(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-acetyl chloridePhthalyl-glycyl chloride2-(1,3-Dioxo-2,3-Dihydro-1H-Isoindol-2-Yl)Acetyl Chloride

데이터베이스 식별자

CAS: 6780-38-7
PubChem CID: 81242
DTXSID: DTXSID10218053
UNII: H5HB2C3TVJ
EC Number: 229-840-8
Nikkaji: J298.108D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 305

물리화학적 성질

녹는점: 84 · 84-85 °C
끓는 점: 190 · 190-192 °C(Press: 15 Torr)
밀도: 1.504 · 1.504±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름, 디클로로메탄에 용해됨
산도 계수 (pKa): -2.56 · -2.56±0.20(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: 1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2
InChIKey: RHZBRCQIKQUQHQ-UHFFFAOYSA-N
SMILES: ClC(=O)CN1C(=O)c2ccccc2C1=O

화학적 성질

slight yellow to white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2923 8/PG 3
risk_code: 25-34
hazard_code: T
safety_code: 26-36/37/39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects