Grundinformationen
- CAS
30007-47-7- Standard-SMILES
O=[N+]([O-])C1(Br)COCOC1- InChIKey
XVBRCOKDZVQYAY-UHFFFAOYSA-N- Summenformel
- C4H6BrNO4
- Durchschnittliche Molmasse
- 212 g/mol
- Monoisotopische Masse
- 210,94802
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 5-Bromo-5-Nitro-1,3-Dioxane
- IUPAC
- 5-bromo-5-nitro-1,3-dioxane
- Lokaler Name
- 5-Brom-5-nitro-1,3-dioxan
- Englischer Name
- 5-Bromo-5-nitro-1,3-dioxane
- Summenformel
- C4H6BrNO4
- Molmasse
- 212
Namen und Synonyme
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
Weitere Namen anzeigen
BNDMicrocideItmBronidox 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
Datenbank-Bezeichner
- CAS
30007-47-7- PubChem CID
- 1807
- DTXSID
DTXSID1044560- ChEMBL
CHEMBL3185787- UNII
- U184I9QBNM
- EC Number
- 250-001-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 64,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 139
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (5-Bromo-5-Nitro-1,3-Dioxane) -> CIR (Cosmetic Ingredient Review)
Preservative
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physikochemische Eigenschaften
- Schmelzpunkt
- 58 · 58-60 °C
- Siedepunkt
- 280.8 · 280.8±40.0 °C(Predicted)
- Dichte
- 1.07 · 1.070
- Dampfdruck
- 1.6 Pa · 1.6Pa at 20℃
- Brechungsindex
- 1.62 · 1.6200 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 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
- Aggregatzustand
- Solid
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 12.5 mg/ml · Soluble in water at 12.5mg/ml
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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]
Gefahrenhinweise
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
Toxikologische Informationen
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.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesBronidox can be metabolized to 2-bromo-2-nitropropane-1,3-diol, a well known nitrosating agent.(L626)
Verwendung und Herstellung
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
Anwendungen
Beschreibung5-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.
Verwenden5-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.
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