1-(1-Bromoethyl)-3-nitrobenzene

HCID 22917838

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 29067-55-8
標準SMILES: CC(Br)c1cccc([N+](=O)[O-])c1
InChIKey: CBTKUSGOSLITSO-UHFFFAOYSA-N
分子式: C8H8BrNO2
平均分子量: 230.06 g/mol
単同位体質量: 228.97384

名称と識別子

優先名称: 1-(1-Bromoethyl)-3-nitrobenzene
IUPAC: 1-(1-bromoethyl)-3-nitrobenzene
英語名: 1-(1-bromoethyl)-3-nitrobenzene
分子式: C8H8BrNO2
分子量: 230.06

名称と別名

1-(1-bromoethyl)-3-nitrobenzene29067-55-8RefChem:419684864-085-3Benzene, 1-(1-bromoethyl)-3-nitro-(1-bromoethyl)-3-nitrobenzeneSCHEMBL2540712SCHEMBL29646530CBTKUSGOSLITSO-UHFFFAOYSA-N1-(1-bromoethyl)-3-nitro-benzeneEBA06755MFCD11180335

名称をさらに表示

(RS)-1-(1-bromoethyl)-3-nitrobenzene

AKOS009306989DA-07292SY419682EN300-1262872

データベース識別子

CAS: 29067-55-8
PubChem CID: 22917838
EC Number: 864-085-3
Nikkaji: J836.073A

物性

構造計算による物性

XLogP: 3
極性表面積: 45.8 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 169

物理化学的性質

融点: 41 · 41-42 °C
沸点: 113 · 113-114 °C(Press: 0.6 Torr)
比重(密度): 1.554 · 1.554±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.