什么是2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0)？

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 是一种化学品，CAS 登记号为 3296-90-0。分子式: C5H10Br2O2. 摩尔质量: 261.94 g/mol. IUPAC: 2,2-bis(bromomethyl)propane-1,3-diol.

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 的 CAS 号是多少？

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 的 CAS 号为 3296-90-0——化学文摘社 (CAS) 的唯一标识符。

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 的分子式是什么？

分子式: C5H10Br2O2. 摩尔质量: 261.94 g/mol. logP (XLogP3): 0.5. PSA: 40.5 Å².

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 有哪些 GHS 危害？

根据 GHS 分类，2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 须标注以下危险说明： H350 (可能致癌(说明接触途径――如已确证无其他接触途径造成这一危害)), H340 (可能导致遗传性缺陷(说明接触途径――如已确证无其他接触途径造成这一危害)).

在哪里可以购买2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0)？

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 在我们的商店有售。查看产品：https://molgod.org/sds-cards/22-bisbromomethyl-13-propanediol-cas-3296-90-0-beijing-tong-guang/

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 的化学数据来自哪里？

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 的化学数据来自权威来源：PubChem (NIH), ChEMBL (EBI)。 PubChem CID: 18692. 符合 CLP 法规（EC 1272/2008），依据 CC-BY 4.0 许可提供。

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0)

Name: 2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) (CAS 3296-90-0) ——完整化学数据集
Creator: MolGod
License: https://creativecommons.org/licenses/by/4.0/

2,2-Bis(bromomethyl)-1,3-propanediol

CAS 3296-90-0 · C₅H₁₀Br₂O₂ · MW 261.94 g/mol

关于 2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0)

2,2-Bis(bromomethyl)-1,3-propanediol (CAS 3296-90-0) 是一种化学品，登记号为 CAS 3296-90-0，分子式为 C₅H₁₀Br₂O₂，摩尔质量为 261.94 g/mol。

该分子包含 19 个原子，通过 18 个化学键连接。该化合物的完整系统 IUPAC 名称为 2,2-bis(bromomethyl)propane-1,3-diol。上方的交互式 3D 模型可查看原子的空间排列——您可以用鼠标旋转、用滚轮缩放，并在骨架 / 球棍 (Ball & Stick) / 空间填充 (Space Fill) 显示模式之间切换。

在理化性质方面，分配系数 logP = 0.5 (正值，亲脂性化合物)，极性表面积 PSA = 40.5 Å²，2 个氢键供体和 2 个氢键受体。这些参数对于评估生物利用度以及与生物分子的相互作用至关重要。

该化合物的化学数据来自 PubChem（NIH NLM NCBI），全球最大的化学数据库之一。所有信息均自动更新，并附有符合 CLP 法规（EC 1272/2008）的 GHS 危险说明翻译。上方的小部件可用于教育、研究和商业用途。

理化性质

Wzór sumaryczny	C₅H₁₀Br₂O₂
Masa molowa	261.94 g/mol
IUPAC	2,2-bis(bromomethyl)propane-1,3-diol
SMILES	`C(C(CO)(CBr)CBr)O`
InChIKey	`CHUGKEQJSLOLHL-UHFFFAOYSA-N`
logP (XLogP3)	0.5
PSA	40.5 Å²
HBD / HBA	2 / 2
PubChem CID	CID 18692 ↗

GHS 安全

Sygnał: Niebezpieczeństwo

GHS08

H350 — Może powodować raka

H340 — Może powodować wady genetyczne

科学文献

Related literature

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📈 Timeline publikacji (20 artykułów)

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NTP Toxicology and Carcinogenesis Studies of 2,2-Bis(Bromomethyl)-1,3-Propanediol (FR-1138(R)) (CAS No. 3296-90-0) in F344 Rats and B6C3F1 Mice (Feed Studies).

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NTP carcinogenesis studies of 2,2-bis(bromomethyl)-1,3-propanediol, nitromethane, and 1,2,3-trichloropropane (cas nos. 3296-90-0, 75-52-5, and 96-18-4) in guppies (Poecilia reticulata) and medaka (Oryzias latipes) (Waterborne Studies).

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Potential Energetic Plasticizers on the Basis of 2,2‐Dinitropropane‐1,3‐diol and 2,2‐Bis(azidomethyl)propane‐1,3‐diol

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2,2-Bis(bromomethyl)propane-1,3-diol.

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Sublimable complexes with spin switching: Chemical design, processing as thin films and integration in graphene-based devices

Miguel Gavara-Edo, Francisco Javier Valverde-Muñoz, Rosa Córdoba et al. (2022) · arXiv (2212.01201v1)

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Modeling molecular crystals formed by spin-active metal complexes by atom-atom potentials

Anton V. Sinitskiy, Andrei L. Tchougréeff, Andrei M. Tokmachev et al. (2009) · arXiv (0904.2742v1)

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Polyurethanes based on 2,2‐Dinitropropane‐1,3‐diol and 2,2‐bis(azidomethyl)propane‐1,3‐diol as potential energetic binders

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Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions.

Ezra S, Bilkis I, Feinstein S et al. (2010) · Chemosphere

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In vitro glucuronidation of 2,2-bis(bromomethyl)-1,3-propanediol by microsomes and hepatocytes from rats and humans.

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Open AccessDOI ↗PubMed ↗PDF ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

同义词

3296-90-0 · 2,2-Bis(bromomethyl)propane-1,3-diol · 2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL · Pentaerythritol dibromide · Dibromoneopentyl glycol · Dibromopentaerythritol · 1,3-Propanediol, 2,2-bis(bromomethyl)- · Pentaerythritol dibromohydrin · FR 1138 · NCI-C55516 · 1,3-Dibromo-2,2-dimethylolpropane · 2,2-Dibromomethyl-1,3-propanediol · 1,3-Dibromo-2,2-dihydroxymethylpropane · Fr 522 · 4ZHG182S25

数据来源

📊 PubChem CID 18692 — NIH
🔬 NIST WebBook — spektroskopia
💊 ChEMBL — bioaktywność

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