3-Indoleglyoxylyl chloride

HCID 89952CAS 22980-09-2

기본 정보

표준 SMILES: O=C(Cl)C(=O)c1c[nH]c2ccccc12
InChIKey: FPEGGKCNMYDNMW-UHFFFAOYSA-N
분자식: C10H6ClNO2
평균 분자량: 207.61 g/mol
단동위원소 질량: 207.00870611

이름 및 식별자

우선 이름: 3-Indoleglyoxylyl chloride
IUPAC: 2-(1H-indol-3-yl)-2-oxoacetyl chloride
영어명: INDOLE-3-GLYOXYLYL CHLORIDE
분자식: C10H6ClNO2
분자량: 207.61

이름 및 동의어

22980-09-23-Indoleglyoxylyl chlorideIndole-3-glyoxyloyl chloride2-(3-indolyl)-2-oxoacetyl chlorideNSC 128332UNII-34QT24PE7634QT24PE76EINECS 245-362-2NSC-128332alpha-Oxo-1H-indole-3-acetyl chlorideDTXSID20177526(1H-INDOL-3-YL)OXOACETYL CHLORIDE

이름 더 보기

2-(1H-Indol-3-yl)-2-oxoacetyl chlorideà-oxoindoleacetyl chloride3-INDOLYL-GLYOXYL CHLORIDE3-INDOLYLGLYOXALYL CHLORIDE3-(Oxochloroacetyl)-1H-indole

.ALPHA.-OXO-1H-INDOLE-3-ACETYL CHLORIDE1H-INDOLE-3-ACETYL CHLORIDE, .ALPHA.-OXO-RefChem:94421DTXCID801000171H-INDOLE-3-ACETYL CHLORIDE, ALPHA-OXO-Indole-3-Glyoxylyl Chloride2-(1H-indol-3-yl)-2-oxoacetyl chloride3-Indolylglyoxylyl chloride

데이터베이스 식별자

CAS: 22980-09-2
PubChem CID: 89952
DTXSID: DTXSID20177526
UNII: 34QT24PE76
EC Number: 245-362-2
Nikkaji: J318.378E

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 49.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 138 °C · 138 °C (dec.) (lit.)
끓는 점: 413.9 · 413.9±37.0 °C(Predicted)
밀도: 1.463 · 1.463±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.29 · 14.29±0.30(Predicted)
BRN: 147693 · 147693
InChI: 1S/C10H6ClNO2/c11-10(14)9(13)7-5-12-8-4-2-1-3-6(7)8/h1-5,12H
InChIKey: FPEGGKCNMYDNMW-UHFFFAOYSA-N
SMILES: ClC(=O)C(=O)c1c[nH]c2ccccc12

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도INDOLE-3-GLYOXYLYL CHLORIDE is an indole derivative used in the preparation of reagents for chemiluminescent enzyme immunoassay. It is an impurity in the manufacture of tryptamines and related compounds.