2,3-디클로로퀴녹살린

2,3-Dichloroquinoxaline

HCID 16659CAS 2213-63-0

기본 정보

표준 SMILES
Clc1nc2ccccc2nc1Cl
InChIKey
SPSSDDOTEZKOOV-UHFFFAOYSA-N
분자식
C8H4Cl2N2
평균 분자량
199.03 g/mol
단동위원소 질량
197.97515349

개요

2,3-dichloroquinoxaline is a gray solid. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
2,3-Dichloroquinoxaline
IUPAC
2,3-dichloroquinoxaline
현지명
2,3-디클로로퀴녹살린
영어명
2,3-Dichloroquinoxaline
분자식
C8H4Cl2N2
분자량
199.04

이름 및 동의어

2,3-DICHLOROQUINOXALINEQuinoxaline, 2,3-dichloro-CCRIS 4789DTXSID1025013EINECS 218-667-3NSC 33437BRN 0126076CP 42103-4DTXCID005013SPSSDDOTEZKOOV-UHFFFAOYSA-5-23-07-00144 (Beilstein Handbook Reference)RefChem:81621
이름 더 보기
2,3-디클로로퀴녹살린cp42103-4oroquinoxaLAKOS BBS-00006726TIMTEC-BB SBB003555SALOR-INT L497169-1EA3-Dichloroquinoxaline2,3-dichloro-quinoxalin2,3-Dichlcroquinoxaline
218-667-3InChI=1/C8H4Cl2N2/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4HSPSSDDOTEZKOOV-UHFFFAOYSA-N2213-63-02,3-DICHLORO-QUINOXALINEMFCD000067203V2TXX4YAZNSC-33437

데이터베이스 식별자

CAS
2213-63-0
PubChem CID
16659
DTXSID
DTXSID1025013
ChEMBL
CHEMBL445957
UNII
3V2TXX4YAZ
EC Number
218-667-3
Nikkaji
J48.372I

물성

구조 계산 물성

XLogP
3.1
극성 표면적
25.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
12

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
SolubilityInsoluble (<1 mg/ml) (NTP, 1992)
Flash Pointgreater than 167 °F (NTP, 1992)
Melting Point304 to 307 °F (NTP, 1992)
Physical Description2,3-dichloroquinoxaline is a gray solid. Insoluble in water. (NTP, 1992)

물리화학적 성질

녹는점
152 · 152-154 °C (lit.)
끓는 점
325.69 °C · 325.69°C (rough estimate)
밀도
1.4994 · 1.4994 (rough estimate)
굴절률
1.64 · 1.6400 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
수용성
물에 불용성

화학적 성질

solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

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

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1건

This is a halide- and amine-substituted aromatic compound. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.

안전 및 보호

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide, foam, or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
VD1720000
ridadr
2811
독성
mouse,LD50,intravenous,5600ug/kg (5.6mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03256,
HS 번호
29339900

화학 및 산업

용도 및 제조

General Manufacturing InformationQuinoxaline, 2,3-dichloro-: ACTIVE
응용 분야 · 3건

개요2,3-Dichloroquinoxaline (DCQX) can be used as a substrate for nucleophilic aromatic substitution (SNAr) reactions and is a versatile building block for the synthesis of many quinoxaline derivatives. 2,3-Dichloroquinoxaline reacts with 6-aminothiouracil in ethanol/TEA to form 6-amino-2-(3-chloroquinoxalin-2-ylthio)pyrimidin-4(3H)-one. It reacts with cholest-5-en-3-one semicarbazone/thiosemicarbazone to form steriodal cholest-5-en-3-oxazolo and thiazoloquinoxaline.

용도2,3-Dichloroquinoxaline is a dichlorinated quinoxaline derivative with antimicrobial activity. 2,3-Dichloroquinoxaline is used in the preparation of quinoxaline derivatives of cancer chemopreventive a ctivity.

일반 설명Gray solid. Insoluble in water.

공급사50 곳

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