Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 2453생성일: 2026년 10월 27일

Broxyquinoline

BROXYQUINOLINE · Brodiar · Colipar · Colepur · Fenilor · Paramiba · Paramibe · Pavamibe

식별자 및 물리적 특성

CAS No.	521-74-4
분자식	C9H5Br2NO
평균 분자량	302.95 g/mol
단동위원소 질량	300.87379 g/mol
SMILES	Oc1c(Br)cc(Br)c2cccnc12
InChIKey	ZDASUJMDVPTNTF-UHFFFAOYSA-N
PubChem CID	2453
ChEMBL	CHEMBL223448
ChEBI	CHEBI:109543
EC No.	208-317-8
DTXSID	DTXSID9045849

화학 및 물리적 성질

XLogP	3.2
극성 표면적	33.1
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	13
형식 전하	0
복잡도	190
SpringerMaterials Properties	Boiling point
Collision Cross Section	137.7 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]136.76 Å² [M+H]+ [CCS Type: TW
녹는점	198-200 °C(lit.)
끓는 점	363.74°C (rough estimate)
밀도	2.189
굴절률	1.6400 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	DMSO(약간 초음파 처리), 메탄올(약간 초음파 처리)
물리적 상태	고체
pKa(산도 계수)	2.23±0.30(Predicted)
색상	미색부터 페일 베이지까지
Merck	14,1453
BRN	153624
EPA	Broxyquinoline (521-74-4)

화학적 성질

almost white powder

안전 및 규제

GHS 분류	WarningH315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Treatment	EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
건강 영향	Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)
노출 경로	Oral (L626)inhalation (L626)dermal (L626)
독성 요약	Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)
Signs and Symptoms	Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)

용도

antiinfectant, disinfectant

CAS No.

521-74-4

분자식

C9H5Br2NO

평균 분자량

302.95 g/mol

단동위원소 질량

300.87379 g/mol

SMILES

Oc1c(Br)cc(Br)c2cccnc12

InChIKey

ZDASUJMDVPTNTF-UHFFFAOYSA-N

PubChem CID

2453

ChEMBL

CHEMBL223448

ChEBI

CHEBI:109543

EC No.

208-317-8

DTXSID

DTXSID9045849

화학 및 물리적 성질

XLogP

3.2

극성 표면적

33.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

190

SpringerMaterials Properties

Boiling point

Collision Cross Section

137.7 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]136.76 Å² [M+H]+ [CCS Type: TW

녹는점

198-200 °C(lit.)

끓는 점

363.74°C (rough estimate)

밀도

2.189

굴절률

1.6400 (estimate)

저장 조건

Keep in dark place,Sealed in dry,Room Temperature

용해도

DMSO(약간 초음파 처리), 메탄올(약간 초음파 처리)

물리적 상태

고체

pKa(산도 계수)

2.23±0.30(Predicted)

색상

미색부터 페일 베이지까지

Merck

14,1453

BRN

153624

EPA

Broxyquinoline (521-74-4)

화학적 성질

almost white powder

안전 및 규제

GHS 분류

WarningH315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Treatment

EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.

건강 영향

Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

노출 경로

Oral (L626)inhalation (L626)dermal (L626)

독성 요약

Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)

Signs and Symptoms

Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)