基本情報
- CAS
3084-53-5- 標準SMILES
C[S+](C)C.[Br-]- InChIKey
GOTIICCWNAPLMN-UHFFFAOYSA-M- 分子式
- C3H9BrS
- 平均分子量
- 157.08 g/mol
- 単同位体質量
- 155.96083
名称と識別子
- 優先名称
- Sulfonium, trimethyl-, bromide (1:1)
- IUPAC
- trimethylsulfanium bromide
- 現地名
- トリメチルスルホニウム ブロミド
- 英語名
- Trimethylsulfonium bromide
- 分子式
- C3H9S.Br
- 分子量
- 157.07
名称と別名
名称をさらに表示
データベース識別子
- CAS
3084-53-5- PubChem CID
- 2735154
- DTXSID
DTXSID90883945- UNII
- J59NCR7385
- EC Number
- 678-448-7
物性
構造計算による物性
- 極性表面積
- 1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 8
実験および物理化学的性質
物理化学的性質
- 融点
- 203 °C · 203°C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 外見
- powder to crystal
- 色
- White to Almost white
- 水溶解度
- 非常にかすかな濁り
- BRN
- 3556022 · 3556022
- InChI
- InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
- InChIKey
- GOTIICCWNAPLMN-UHFFFAOYSA-M
- SMILES
- C[S+](C)C.[Br-]
- CAS データベース
- 3084 · 3084-53-5(CAS DataBase Reference)
- EPAの化学物質情報
- Sulfonium, trimethyl-, bromide (3084-53-5)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.
Warning
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 47 reports by companies.;There are 5 notifications provided by 46 of 47 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Sulfonium, trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfonium, trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34299
法規制情報
Regulatory Information
Sulfonium, trimethyl-, bromide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Sulfonium, trimethyl-, bromide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34299
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Sulfonium, trimethyl-, bromide (1:1): ACTIVE
応用分野
使用Trimethylsulfonium bromide is an important pharmaceutical intermediate and chemical raw material for the preparation of methylcobalamin and epoxy resins. Methylcobalamin is the active form of vitamin B12 and is used to treat peripheral neuropathy, diabetic neuropathy, and amyotrophic lateral sclerosis.
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