기본 정보
- CAS
30007-47-7- 표준 SMILES
O=[N+]([O-])C1(Br)COCOC1- InChIKey
XVBRCOKDZVQYAY-UHFFFAOYSA-N- 분자식
- C4H6BrNO4
- 평균 분자량
- 212 g/mol
- 단동위원소 질량
- 210.94802
개요
The evidence at hand indicates 5-Bromo-5-Nitro-1,3-Dioxane to be safe as a cosmetic ingredient at concentrations up to and including 0.1 percent except under circumstances where its action with amines or amides can result in the formation of nitrosamines or nitrosamides.
이름 및 식별자
- 우선 이름
- 5-Bromo-5-Nitro-1,3-Dioxane
- IUPAC
- 5-bromo-5-nitro-1,3-dioxane
- 현지명
- 5-브로모-5-나이트로-1,3-디옥산
- 영어명
- 5-Bromo-5-nitro-1,3-dioxane
- 분자식
- C4H6BrNO4
- 분자량
- 212
이름 및 동의어
5-Bromo-5-nitro-1,3-dioxane30007-47-7Bronidox1,3-Dioxane, 5-bromo-5-nitro-5-Bromo-5-nitro-m-dioxane5-Brom-5-nitro-1,3-dioxanm-DIOXANE, 5-BROMO-5-NITRO-MICROCIDE IDTXSID1044560U184I9QBNMDTXCID9024560RefChem:102179
이름 더 보기
5-브로모-5-나이트로-1,3-디옥산5-브로모-5-나이트로-1,3-다이옥산BNDMicrocideItmBronidox 10% (BND-10)5-bromo-5-nitro-m-dioxan5-bromo-5-nitro-3-dioxane
5-bromo-5-nitro-1,3 dioxane250-001-7C4H6BrNO4Bronidox LMFCD001018555-Bromo-5-nitro-1,3-dioxane Solution in Methanol, 100ug/mL5-Bromo-5-nitro-1,3-dioxane Solution in Methanol, 1000ug/mLEINECS 250-001-7
데이터베이스 식별자
- CAS
30007-47-7- PubChem CID
- 1807
- DTXSID
DTXSID1044560- ChEMBL
CHEMBL3185787- UNII
- U184I9QBNM
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 64.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 139
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (5-Bromo-5-Nitro-1,3-Dioxane) -> CIR (Cosmetic Ingredient Review)
Preservative
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
물리화학적 성질
- 녹는점
- 58 · 58-60 °C
- 끓는 점
- 280.8 · 280.8±40.0 °C(Predicted)
- 밀도
- 1.07 · 1.070
- 증기압
- 1.6 Pa · 1.6Pa at 20℃
- 굴절률
- 1.62 · 1.6200 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS(pH 7.2) (1:4): 0.2 mg/ml; Ethanol: 25 mg/ml
- 물리적 상태
- Solid
- 색상
- 흰색에서 거의 흰색
- 수용성
- 12.5 mg/ml로 · 12.5mg/ml로 물에 용해됨
- 주요 응용
- 청소용품화장품음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 항균 방부제
- InChI
- InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
- InChIKey
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 228 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 1,3-Dioxane, 5-bromo-5-nitro-
REACH registered substance: 5-bromo-5-nitro-1,3-dioxane (EC: 250-001-7)
5-Bromo-5-nitro-1,3 dioxane: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Dioxane, 5-bromo-5-nitro-: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (99.6%)
Acute toxicity - category 4
독성 정보
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.
화학 및 산업
약리 정보
Metabolism/MetabolitesBronidox can be metabolized to 2-bromo-2-nitropropane-1,3-diol, a well known nitrosating agent.(L626)
용도 및 제조
Uses
CIR ingredient: 5-Bromo-5-Nitro-1,3-Dioxane
Bronidox is used as a stabilizer, surfacant, bactericide, and preservative in immunology and cosmetics. (L644)
Use ClassificationCosmetics -> Preservative
General Manufacturing Information1,3-Dioxane, 5-bromo-5-nitro-: ACTIVE
응용 분야
개요5-Bromo-5-nitro-1,3-dioxane, also known as , exhibits antimicrobial properties against a wide range of microorganisms including gram-negative and gram-positive bacteria, yeast, and fungi. Bronidox is commonly employed as a stabilizer and preservative in biological molecules and solutions, such as antibodies and antisera. It finds application in rinse-off cosmetics, where it serves as a preserving agent. Bronidox can be used alone or in combination with methylisothiazolone to enhance its effectiveness.
용도5-Bromo-5-nitro-1,3-dioxane is used as a stabilizer and preserving agent for biological molecules and solutions such as antibodies and antisera. Bronidox is used in a variety of rinse-off cosmetic. It can be used alone or in combination with methylisothiazolone.
일반 설명5-Bromo-5-nitro-1,3-dioxane is a bromine containing preservative commonly used in cosmetic products.
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