基本情報
- 標準SMILES
FC(F)(F)C(F)(Br)C(F)(F)Br- InChIKey
KTULQNFKNLFOHL-UHFFFAOYSA-N- 分子式
- C3Br2F6
- 平均分子量
- 309.83 g/mol
- 単同位体質量
- 307.82709
名称と識別子
- 優先名称
- 1,2-Dibromo-1,1,2,3,3,3-hexafluoropropane
- IUPAC
- 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
- 現地名
- 1,1,1,2,3,3-ヘキサフルオロ-2,3-ジブロモプロパン
- 英語名
- 1,2-Dibromohexafluoropropane
- 分子式
- C3Br2F6
- 分子量
- 309.83
名称と別名
名称をさらに表示
データベース識別子
- CAS
661-95-0- PubChem CID
- 69579
- DTXSID
DTXSID60880143- EC Number
- 211-550-8
- Nikkaji
- J28.275H
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 152
物理化学的性質
- 融点
- -95 °C · -95 °C
- 沸点
- 73 °C · 73 °C
- 比重(密度)
- 2.169 · 2.169
- 屈折率
- 1.3605 · 1.3605
- 闪点
- 71 · 71-72°C
- 比重
- 2.169 · 2.169
- InChI
- InChI=1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11
- InChIKey
- KTULQNFKNLFOHL-UHFFFAOYSA-N
- SMILES
- C(Br)(F)(F)C(Br)(F)C(F)(F)F
- CAS データベース
- 661 · 661-95-0(CAS DataBase Reference)
- EPAの化学物質情報
- 1 · Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro- (661-95-0)
化学的性質
化学的特性clear colorless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (65.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.4%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (66.4%): Fatal if inhaled [Danger Acute toxicity, inhalation];H332 (28.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
S - indicates a substance that is identified in a final Significant New Use Rule.
Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5941
法規制情報
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5941
安全データ
- tsca
- TSCA listed
- rtecs
- TX8800000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
化学と産業
用途と製造
応用分野
使用1,2-Dibromohexafluoropropane is used in method of manufacturing fire-extinguishing microcapsules comprising fire-extinguishing agent and polymeric shell.
上流・下流製品情報
上流原料
下流製品
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