1,6-ジブロモヘキサン

1,6-Dibromohexane

HCID 12368CAS 629-03-8

基本情報

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
241.93057458

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]DTXSID4044452NSC 7306EINECS 211-067-2BRN 1236322
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%
Dibromo-1,6 hexaneAI3-11008Hexane, 1,6-dibromoNSC-73067L71Q7Y230DTXCID2024452UNII-7L71Q7Y230EC 211-067-2

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

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 · 2 件

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

化学的性質

化学的特性colourless or pale yellow liquid. soluble in ethanol, ether, benzene and chloroform, insoluble in water. It is used in the synthesis of the hypotensive drug hexamethonium bromide.

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 4 件

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)

Status: Active Update: 15-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5500

1,6-Dibromohexane: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

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) · 3 件

6.0 [mg/m3]

66 [mg/m3]

400 [mg/m3]

安全データ

wgk
3
tsca
TSCA listed
rtecs
MO1515000
ridadr
UN 2810 6.1/PG 3
毒性
LD50 orally in Rabbit: 1800 mg/kg LD50 dermal Rabbit > 2000 mg/kg
hs_code
29033036

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 · 2 件

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.

サプライヤー50 社

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関連反応

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