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트리브로모시아누르산

Tribromoisocyanuric acid

HCID 9863943
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
17497-85-7
표준 SMILES
O=c1n(Br)c(=O)n(Br)c(=O)n1Br
InChIKey
ZKWDCFPLNQTHSH-UHFFFAOYSA-N
분자식
C3Br3N3O3
평균 분자량
365.76 g/mol
단동위원소 질량
362.74898

개요

Tribromoisocyanuric acid is an organobromide compound. It is used as a reagent for bromination in organic synthesis. 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, L709)

이름 및 식별자

우선 이름
Tribromoisocyanuric acid
IUPAC
1,3,5-tribromo-1,3,5-triazinane-2,4,6-trione
현지명
트리브로모시아누르산
영어명
TribroMocyanuric acid
분자식
C3Br3N3O3
분자량
365.76

이름 및 동의어

17497-85-71,3,5-tribromo-1,3,5-triazinane-2,4,6-trioneTribromoisocyanuric acidDTXSID604320601,3,5-tribromo-1,3,5-triazinetribromo-1,3,5-triazinane-2,4,6-trioneRefChem:190900DTXCID20382890tribromocyanuric acid1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tribromo-MFCD21604032L8RKK5P98Z
이름 더 보기
트리브로모시아누르산
N,N,N-Tribromoisocyanuric acid1,3,5-Tribromo-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Tribromo-1,3,5-triazine-2,4,6-trioneS-Triazine-2,4,6(1H,3H,5H)-trione, tribromo-S-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tribromo-C3Br3N3O3UNII-L8RKK5P98ZSCHEMBL309987

데이터베이스 식별자

CAS
17497-85-7
PubChem CID
9863943
DTXSID
DTXSID60432060
UNII
L8RKK5P98Z
Nikkaji
J60.110A

물성

구조 계산 물성

XLogP
1.7
극성 표면적
60.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
12
형식 전하
0
복잡도
202

물리화학적 성질

끓는 점
324.3 · 324.3±25.0 °C(Predicted)
밀도
3.259 · 3.259±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
-4.49 · -4.49±0.20(Predicted)
InChI
InChI=1S/C3Br3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChIKey
ZKWDCFPLNQTHSH-UHFFFAOYSA-N
SMILES
N1(Br)C(=O)N(Br)C(=O)N(Br)C1=O

안전 및 규제

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

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)

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)

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

UsesIt is used as a reagent for bromination in organic synthesis. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.

상·하류 제품 정보

상류 원료

시아누릭 산수산화나트륨사염화탄소물

하류 제품

트리클로로이소시아눌산

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Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302