1-フルオロ-2-ニトロ-3-クロロベンゼン

1-Chloro-3-fluoro-2-nitrobenzene

HCID 3017500

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 64182-61-2
標準SMILES: O=[N+]([O-])c1c(F)cccc1Cl
InChIKey: GOIUPLBHNRTTIO-UHFFFAOYSA-N
分子式: C6H3ClFNO2
平均分子量: 175.54 g/mol
単同位体質量: 174.9836342

名称と識別子

優先名称: 1-Chloro-3-fluoro-2-nitrobenzene
IUPAC: 1-chloro-3-fluoro-2-nitrobenzene
現地名: 1-フルオロ-2-ニトロ-3-クロロベンゼン
英語名: 2-Chloro-6-fluoronitrobenzene
分子式: C6H3ClFNO2
分子量: 175.54

名称と別名

64182-61-21-Chloro-3-fluoro-2-nitrobenzeneEINECS 264-723-5DTXSID00982711RefChem:75384DTXCID901409971264-723-52-chloro-6-fluoronitrobenzeneMFCD066582643-chloro-1-fluoro-2-nitrobenzeneBenzene, 1-chloro-3-fluoro-2-nitro-SCHEMBL550845

名称をさらに表示

1-フルオロ-2-ニトロ-3-クロロベンゼン1-クロロ-3-フルオロ-2-ニトロベンゼン2-fluoro-6-chloronitrobenzene6-chloro-2-fluoro-nitrobenzene1-Fluoro-2-nitro-3-chlorobenzene2-Chloro-6-fluoronitrobenzene, 97+%2-Chloro-6-fluoronitrobenzene ISO 9001：2015 REACH

SCHEMBL28545972SCHEMBL31050080AC-237SBB055342AKOS005256261CS-W003306FC38009AS-11048

データベース識別子

CAS: 64182-61-2
PubChem CID: 3017500
DTXSID: DTXSID00982711
EC Number: 264-723-5
Nikkaji: J310.074J

物性

構造計算による物性

XLogP: 2.5
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: 3
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

沸点: 245.1 · 245.1±20.0 °C(Predicted)
比重(密度): 1.494 · 1.494±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: fused solid
色: Yellow
CAS データベース: 64182 · 64182-61-2(CAS DataBase Reference)

化学的性質

化学的特性Pale yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.