1,6-ジブロモヘキサン
1,6-Dibromohexane
基本情報
- CAS
629-03-8- 標準SMILES
BrCCCCCCBr- InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N- 分子式
- C6H12Br2
- 平均分子量
- 243.97 g/mol
- 単同位体質量
- 241.93058
名称と識別子
- 優先名称
- 1,6-Dibromohexane
- IUPAC
- 1,6-dibromohexane
- 現地名
- 1,6-ジブロモヘキサン
- 英語名
- 1,6-Dibromohexane
- 分子式
- C6H12Br2
- 分子量
- 243.97
名称と別名
1,6-Dibromohexane629-03-8Hexamethylene dibromide1,6-Dibromo-n-hexaneHEXANE, 1,6-DIBROMO-1,6-Dibromohexanalpha,omega-Dibromohexane1,6-Dibromohexan [German]Dibromo-1,6 hexaneDTXSID4044452NSC 7306EINECS 211-067-2
名称をさらに表示
1,6-ジブロモヘキサン二臭化ヘキサメチレンヘキサメチレンジブロミドヘキサメチレンブロミド1,6‐ジブロモヘキサン1,6-ジブロモヘキサン, 97+%1,6-Dibromhexan6-Dibromohexane1,6-dibromo-hexan1,6-DibromotexaneHexane,1,6-dibromo-1,6-Dibromohexane,98%
BRN 1236322AI3-11008Hexane, 1,6-dibromoNSC-73067L71Q7Y2304-01-00-00354 (Beilstein Handbook Reference)DTXCID2024452UNII-7L71Q7Y230
データベース識別子
- CAS
629-03-8- PubChem CID
- 12368
- DTXSID
DTXSID4044452- ChEMBL
CHEMBL3559826- UNII
- 7L71Q7Y230
- EC Number
- 211-067-2
- Nikkaji
- J68.586K
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 5
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 31.5
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesDensity
Density1.6025 @25 °C
Boiling Point245.5 °C @760 [mm Hg]
Melting Point-1.2 °C
Physical Description
Liquid
Clear brown liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- -2 · -2-2.5 °C (lit.)
- 沸点
- 243 °C · 243 °C (lit.)
- 比重(密度)
- 1.586 g/mL · 1.586 g/mL at 25 °C (lit.)
- 蒸気圧
- 1 hPa · <1 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.507(lit.)
- 闪点
- 110 °C · 110 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- soluble in Chloroform, Ethyl Acetate
- 外見
- 液体
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
This chemical does not meet GHS hazard criteria for 40.9% (52 of 127) of reports.
Danger
H300 (39.4%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Hexane, 1,6-dibromo-
Hexane, 1,6-dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-dibromo- 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)
REACH registered substance: 1,6-dibromohexane (EC: 211-067-2)
1,6-Dibromohexane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and eye irritant; Intraperitoneal LD50 (mouse) = 270 mg/kg; [RTECS] May cause skin sensitization; Harmful by ingestion; [ECHA REACH Registrations] A mild skin irritant; May cause skin sensitization; Highly toxic by ingestion; [Sigma-Aldrich MSDS] Search for (629-03-8[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See 1,3-Dibromopropane, 1,4-Dibromobutane, 1,5-Dibromopentane, and 1,8-Dibromooctane.
Hazard Classes and CategoriesAcute Tox. 2 (39.4%)
安全と保護具
Protective Action Criteria (PAC)
化学と産業
用途と製造
UsesUsed to make fine chemicals; [ECHA REACH Registrations]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexane, 1,6-dibromo-: ACTIVE
応用分野
用途有機合成原料(医薬、農薬)。
使用1,6-Dibromohexane is used as a reagent in the synthesis of novel benzo[b]xanthone derivatives which have a potential antitumor activity. It is also used as a cross-linker for the cross-linking of glycuronans.
調製方法
製造方法1,6-Dibromohexane is synthesized from hexanediol by bromination.
上流・下流製品情報
上流原料
関連反応
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