o-Bromocumene (HCID 23475)

名称と識別子

優先名称: o-Bromocumene
IUPAC: 1-bromo-2-propan-2-ylbenzene
現地名: 2-ブロモクメン
英語名: 1-Bromo-2-(1-methylethyl)benzene
分子式: C9H11Br
分子量: 199.09

名称と別名

7073-94-11-Bromo-2-(1-methylethyl)benzeneO-BROMOCUMENEEINECS 230-370-0DTXSID80220986RefChem:855209DTXCID10143477230-370-01-Bromo-2-isopropylbenzene2-Bromocumene2-Isopropylbromobenzene1-bromo-2-propan-2-ylbenzene

名称をさらに表示

2-ブロモクメン1-イソプロピル-2-ブロモベンゼン2-イソプロピルフェニルブロミドo-ブロモクメン1-ブロモ-2-イソプロピルベンゼン1-ブロモ-2-イソプロピルベンゼン, 97%1-ブロモ-2-(プロパン-2-イル)ベンゼンcumene,o-bromo-2-Bromocumene,97%2-Bromocumene >1-Bromo-2-isopropyLmethyl bromobenzene1-Bromo-2-(1-methyle

1-Bromo-2-IsopropYl-BenzeneCumene, o-bromo-1-bromo-2-isopropyl benzeneBenzene, 1-bromo-2-(1-methylethyl)-1-bromo-2-(propan-2-yl)benzeneMFCD000515672-BromoisopropylbenzeneCumene, 2-bromo-

データベース識別子

CAS: 7073-94-1
PubChem CID: 23475
DTXSID: DTXSID80220986
UNII: 6YV3W8ZB4K
EC Number: 230-370-0
Nikkaji: J44.145G

物性

構造計算による物性

XLogP: 3.9
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: 1
重原子数: 10
形式電荷: 0
複雑度: 98

物理化学的性質

融点: -58.8 °C · -58.8°C
沸点: 90 °C · 90 °C
比重(密度): 1.3 · 1.30
屈折率: 1.541 · 1.5410
闪点: 90 · 90-92°C/15mm
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Light orange to Yellow
比重: 1.3 · 1.30
水溶解度: 水に不溶。
BRN: 1857014 · 1857014
Henry's Law Constant: 1.7 · 1.7×10-3 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
InChI: InChI=1S/C9H11Br/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3
InChIKey: LECYCYNAEJDSIL-UHFFFAOYSA-N
CAS データベース: 7073 · 7073-94-1(CAS DataBase Reference)
NISTの化学物質情報: 1 · Benzene, 1-bromo-2-(1-methylethyl)-(7073-94-1)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (71.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (14.3%)；Aquatic Chronic 2 (71.4%)

安全データ

hs_code: 2903.99.8001
消防法: 危-4-3-III
safety_code: 24/25
hazard_class: 9

化学と産業

応用分野 · 1 件

使用1-Bromo-2-(1-methylethyl)benzene serves as a precursor for synthesizing 2-isopropylbenzaldehyde via reaction with lithium metal and N,N-dimethylformamide, and for preparing 2-(2-isopropylphenyl)pyridine derivatives through coupling with tert-butyllithium, 2-(2-isopropylphenyl)pyridine, and pyridine[1].