基本情報
- CAS
30007-47-7- 標準SMILES
O=[N+]([O-])C1(Br)COCOC1- InChIKey
XVBRCOKDZVQYAY-UHFFFAOYSA-N- 分子式
- C4H6BrNO4
- 平均分子量
- 212 g/mol
- 単同位体質量
- 210.94802
概要
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.
名称と識別子
- 優先名称
- 5-Bromo-5-Nitro-1,3-Dioxane
- IUPAC
- 5-bromo-5-nitro-1,3-dioxane
- 現地名
- 5-ブロモ-5-ニトロ-1,3-ジオキサン
- 英語名
- 5-Bromo-5-nitro-1,3-dioxane
- 分子式
- C4H6BrNO4
- 分子量
- 212
名称と別名
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
名称をさらに表示
5-ブロモ-5-ニトロ-1,3-ジオキサンブロニドックス5-ブロモ-5-ニトロ-1,3-ジオキサン [生化学用]5-ブロモ-5-ニトロ-1,3-ジオキサン (BRONIDブロニドックスND)ブロモニトロジオキサン5-ブロモ5-ニトロ-1,3-ジオキサン5-ブロモ-5-ニトロ-1,3-ジオキサン (BronidブロニドックスND), 100 µg/mL in MeOHBNDMicrocideItmBronidox 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
データベース識別子
- CAS
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 64.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 139
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (5-Bromo-5-Nitro-1,3-Dioxane) -> CIR (Cosmetic Ingredient Review)
Preservative
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
物理化学的性質
- 融点
- 58 · 58-60 °C
- 沸点
- 280.8 · 280.8±40.0 °C(Predicted)
- 比重(密度)
- 1.07 · 1.070
- 蒸気圧
- 1.6 Pa · 1.6Pa at 20℃
- 屈折率
- 1.62 · 1.6200 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 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
- 外見
- Solid
- 色
- White to Almost white
- 水溶解度
- 12.5 mg/mlで水に溶ける · 12.5mg/mlで水に溶ける
- 主な用途
- 洗浄剤化粧品食品および飲料パーソナルケア
- 化粧品成分の機能
- 防腐剤
- InChI
- InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2
- InChIKey
- XVBRCOKDZVQYAY-UHFFFAOYSA-N
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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]
危険有害性情報
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
毒性情報
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.
化学と産業
薬理情報
Metabolism/MetabolitesBronidox can be metabolized to 2-bromo-2-nitropropane-1,3-diol, a well known nitrosating agent.(L626)
用途と製造
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
応用分野
説明5-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.
使用5-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.
一般的な説明5-Bromo-5-nitro-1,3-dioxane is a bromine containing preservative commonly used in cosmetic products.
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