홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

1,3-다이브로모-5,5-다이메틸하이단토인

1,3-Dibromo-5,5-dimethylhydantoin

HCID 6479
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
77-48-5
표준 SMILES
CC1(C)C(=O)N(Br)C(=O)N1Br
InChIKey
VRLDVERQJMEPIF-UHFFFAOYSA-N
분자식
C5H6Br2N2O2
평균 분자량
285.92 g/mol
단동위원소 질량
283.87960163

개요

1,3-Dibromo-5,5-dimethylhydantoin is an organobromide compound derived from the heterocycle called dimethylhydantoin. It is widely used as a disinfectant used for drinking water purification, recreational water treatment, as a bleaching agent in pulp and paper mills, and for treating industrial/commercial water cooling systems. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625, L690)

이름 및 식별자

우선 이름
1,3-Dibromo-5,5-dimethylhydantoin
IUPAC
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione
현지명
1,3-다이브로모-5,5-다이메틸하이단토인
영어명
1,3-Dibromo-5,5-dimethylhydantoin
분자식
C5H6Br2N2O2
분자량
285.92

이름 및 동의어

1,3-Dibromo-5,5-dimethylhydantoin77-48-5Dibromantin1,3-dibromo-5,5-dimethylimidazolidine-2,4-dioneDibromantineTake Charge OrangeDBDMHN,N'-Dibromodimethylhydantoin1,3-Dibromo-5,5-dimethyl-2,4-imidazolidinedione5,5-Dimethyl-1,3-dibromohydantoin2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-DTXSID3035341
이름 더 보기
1,3-다이브로모-5,5-다이메틸하이단토인1,3-다이브로모-5,5-디메틸하이단토인DBNPADDHdibromohydantoinHSCDIBROMATIN
V9R5F9I7MZHYDANTOIN, 1,3-DIBROMO-5,5-DIMETHYL-NSC-33305DTXCID1015341DisinfectantTabletsDisinfectant TabletsRefChem:536271,3-dibromo 5,5-dimethylhydantoin

데이터베이스 식별자

CAS
77-48-5
PubChem CID
6479
DTXSID

물성

구조 계산 물성

XLogP
1.5
극성 표면적
40.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
229

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Biocides/Disinfectants
Food Contact Substances · 2건

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2건

Dry Powder

Light yellow powder; [Aldrich MSDS]

물리화학적 성질

녹는점
197 · 197-199 °C (dec.)(lit.)
끓는 점
250.2 · 250.2±23.0 °C(Predicted)
밀도
1 g/cm3 · 1.00 g/cm3 (25℃)
굴절률
1.622 · 1.6220 (estimate)
인화점
155 °C · 155 °C
저장 조건
30 °C · Store below +30°C.
용해도
1 g/L · 1g/L
물리적 상태
가루
산도 계수 (pKa)
-3.44 · -3.44±0.40(Predicted)
색상
크림색 또는 밝은 노란색
수용성
알코올, 에테르, 벤젠에 용해됩니다. 물에 불용성.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H272 (93.5%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]

P210, P220, P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 231 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-

2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10089

1,3-Dibromo-5,5-dimethylhydantoin: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Evidence of thyroid hypofunction in repeated dose study of rats; [RTECS] Corrosive to skin; Not sensitizing to guinea pigs; Halohydantoins: The persistent metabolites, 5,5-Dimethylhydantoin (DMH) and 5-Ethyl-5-methylhydantoin (EMH), are used for developing toxicity data for this group of compounds; Quickly decomposed by water forming hypochlorous or hypobromous acid (the true biocidal agents) and DMH or EMH; DMH/EMH: Sub-chronic, developmental, reproductive, and chronic toxicity animal studies have shown non-specific toxicity at high doses (no evidence of carcinogenicity, reproductive or developmental toxicity, and limited evidence of mutagenicity); [Reference #1] An oxidizer that can intensify fire; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; [Aldrich MSDS] See 1,3-Dichloro-5,5-dimethylhydantoin.

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

용도 및 제조

Uses · 3건

Halohydantoins: Used as disinfectants in swimming pools, hot tubs, toilet bowls, and industrial systems (cooling water, pulp and paper, wastewater, and sewage); Also used as slimicide for paper/paperboard for food contact; [Reference #1]

Pulp and Paper Processing [Category: Industry]

1,3-Dibromo-5,5-dimethylhydantoin is an organobromide compound derived from the heterocycle called dimethylhydantoin. It is widely used as a disinfectant used for drinking water purification, recreational water treatment, as a bleaching agent in pulp and paper mills, and for treating industrial/commercial water cooling systems. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Photographic Film, Paper, Plate, and Chemical Manufacturing

2,4-Imidazolidinedione, 1,3-dibromo-5,5-dimethyl-: ACTIVE

응용 분야 · 3건

개요1,3-Dibromo-5,5-dimethylhydantoin is an important chemical product and has been widely applied in chemical, pharmaceutical and agricultural industries with various kinds of advantages including excellent stability, high content of bromine and high reactive activity.

용도Brominating agent. Analytical reagent for determination of iodide and organic iodine, and for identification tests.

관련 반응

408건
반응 기록 만들기
HRID 5774 반응식
HRID 5774반응물로uspto-grants-1993_09
HRID 6465 반응식
HRID 6465반응물로uspto-grants-1993_09
HRID 6466 반응식
HRID 6466반응물로uspto-grants-1993_09
HRID 37516 반응식
HRID 37516반응물로uspto-grants-1995_05
HRID 59580 반응식
HRID 59580반응물로uspto-grants-2016_09
HRID 60222 반응식
HRID 60222반응물로uspto-grants-2016_09
HRID 60230 반응식
HRID 60230반응물로uspto-grants-2016_09
HRID 60392 반응식
HRID 60392반응물로uspto-grants-2016_09
1 / 51 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
DTXSID3035341
ChEMBL
CHEMBL3184055
UNII
V9R5F9I7MZ
EC Number
201-030-9
Nikkaji
J25.319G
Merck
14 · 14,3017
BRN
146024 · 146024
InChI
1S/C5H6Br2N2O2/c1-5(2)3(10)8(6)4(11)9(5)7/h1-2H3
InChIKey
VRLDVERQJMEPIF-UHFFFAOYSA-N
SMILES
CC1(C)N(Br)C(=O)N(Br)C1=O
EPA
1 · 1,3-Dibromo-5,5-dimethylhydantoin (77-48-5)

화학적 성질

solid

Hazard Classes and CategoriesOx. Sol. 3 (93.5%)

독성 정보

Treatment · 1건

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.

Health Effects · 1건

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)

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1건

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 · 1건

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)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLC50 (rat) = 510 - 2,020 mg/m3

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MU0686000
ridadr
UN 3087 5.1/PG 2
HS 번호
29332100
risk_code
8-22-35-50/53-50-34
hazard_code
O,C,N,Xi
safety_code
17-26-36/37/39-45-60-61
포장분류
II
위험 등급
5.1
기존화학 물질
97-3-8
위험 참고 사항
Harmful/Irritant
자연 발화 온도
550°C
Hazard Classifications
Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Ox. Sol. 3Skin Corr. 1BSkin Sens. 1
스토리지 클래스
5.1B - Oxidizing hazardous materials

일반 설명Currently, the combined formulation between 1,3-Dibromo-5,5-dimethylhydantoin(DBDMH) and other halogenated hydantoin for application has become a hotspot in recent years such as the combined application of BCDMH and DBDMH as well as the combined application of DCDMH and DBDMH. For the combined formulation of DBDMH and other halogenated hydantoin, one critical factor is the ratio between effective chlorine and effective bromine.

상·하류 제품 정보

상류 원료

차아염소산나트륨5,5-디메틸히단토인염산1,3-디클로로-5,5-디메틸 하이단토인사이안화 나트륨수산화나트륨

하류 제품

1-플루오로-4-(트리플루오로메틸티오)벤젠5-Bromo-2-(dimethylamino)pyrimidine1,6-Dibromopyrene1-(브로모메틸)-3-페녹시벤젠