CAS 2270-59-9 5-Bromo-2-methyl-2-pentene (HCID 137521)

基本情報

CAS: 2270-59-9
標準SMILES: CC(C)=CCCBr
InChIKey: UNXURIHDFUQNOC-UHFFFAOYSA-N
分子式: C6H11Br
平均分子量: 163.06 g/mol
単同位体質量: 162.00441

名称と識別子

優先名称: 5-Bromo-2-methyl-2-pentene
IUPAC: 5-bromo-2-methylpent-2-ene
現地名: 5-ブロモ-2-メチルペント-2-エン
英語名: 5-Bromo-2-methyl-2-pentene
分子式: C6H11Br
分子量: 163.06

名称と別名

5-bromo-2-methylpent-2-ene5-Bromo-2-methyl-2-pentene2270-59-9MFCD000098875-Bromo-2-methyl-pent-2-ene1-bromo-4-methyl-3-penteneNSC2444641-bromo4-methyl-3-pentene5-brom-2-methyl-2-penteneSCHEMBL230243DTXSID901772305-Bromo-2-methyl-2-pentene, 97%

名称をさらに表示

5-ブロモ-2-メチルペント-2-エン5-ブロモ-2-メチル-2-ペンテン5-ブロモ-2-メチル-2-ペンテン, 97%Homoprenyl bromidePrenylmethyl bromide2-Pentene,5-bromo-2-methyl-5-bromo-2-methyl-2-pentylene5-Bromo-2-methyl-2-pentene 97%5-Bromo-2-methyl-2-pentene - [B0351]

AKOS005258179FS-5458NSC 244464NSC-244464SY062298CS-0155165EN300-126650F19983

データベース識別子

CAS: 2270-59-9
PubChem CID: 137521
DTXSID: DTXSID90177230
EC Number: 627-445-9
Nikkaji: J718.719J

物性

構造計算による物性

XLogP: 2.9
極性表面積: 0 Å²
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: 2
重原子数: 7
形式電荷: 0
複雑度: 60

実験および物理化学的性質

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -102.35 °C · -102.35°C (estimate)
沸点: 152 · 152-154 °C (lit.)
比重(密度): 1.217 g/mL · 1.217 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.476(lit.)
闪点: 73 °F · 73 °F
貯蔵温度: 2 · 2-8°C
外見: liquid
比重: 1.217 · 1.217
水溶解度: 水とわずかに混和する。
BRN: 1735749 · 1735749
InChI: InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h4H,3,5H2,1-2H3
InChIKey: UNXURIHDFUQNOC-UHFFFAOYSA-N
SMILES: C/C(/C)=C\CCBr

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (89.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (10.9%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 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

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Chloro-2-methyl-1-propene.

Hazard Classes and CategoriesFlam. Liq. 2 (89.1%)；Flam. Liq. 3 (10.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

F: 10-23
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29033990
risk_code: 10-36/37/38
hazard_code: Xi
hazard_note: Irritant

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用5-Bromo-2-methyl-2-pentene acts as a synthetic reagent, which is useful in the formation of sesqueterpenoid. It is also employed in the preparation of geranlol-3-14C. Further, it is used in the preparation of penifulvin A, which is a sesquiterpenoid with a novel dioxa-fenestrane structure.