1-ブロモ-2-クロロ-3-ニトロベンゼン

1-Bromo-2-chloro-3-nitrobenzene

HCID 22736053CAS 3970-37-4

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1cccc(Br)c1Cl
InChIKey: JNIDAGAFFKAPRV-UHFFFAOYSA-N
分子式: C6H3BrClNO2
平均分子量: 236.45 g/mol
単同位体質量: 234.90357

名称と識別子

優先名称: 1-Bromo-2-chloro-3-nitrobenzene
IUPAC: 1-bromo-2-chloro-3-nitrobenzene
現地名: 1-ブロモ-2-クロロ-3-ニトロベンゼン
英語名: 1-Bromo-2-chloro-3-nitrobenzene
分子式: C6H3BrClNO2
分子量: 236.45

名称と別名

1-BROMO-2-CHLORO-3-NITROBENZENE3970-37-4DTXSID50627948RefChem:75062DTXCID70578701814-473-33-Bromo-2-chloronitrobenzene1-bromo-2-chloro-3-nitro-benzeneMFCD08277301Benzene, 1-bromo-2-chloro-3-nitro-SCHEMBL1494470CL8949

名称をさらに表示

1-ブロモ-2-クロロ-3-ニトロベンゼンoro-3-nitrobenzene1-BROMO-2-CHLORO-3-NITROBENZENE ISO 9001：2015 REACH

AKOS015834905CS-W008709AM83152GS-40GS-4084SB37018SY035138EN300-102334

データベース識別子

CAS: 3970-37-4
PubChem CID: 22736053
DTXSID: DTXSID50627948
EC Number: 814-473-3

物性

構造計算による物性

XLogP: 3.1
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: 0
重原子数: 11
形式電荷: 0
複雑度: 161

物理化学的性質

融点: 57 · 57-60°C
沸点: 290.4 · 290.4±20.0 °C(Predicted)
比重(密度): 1.827 · 1.827±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ペールイエロー
InChI: InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey: JNIDAGAFFKAPRV-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC([N+]([O-])=O)=C1Cl

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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