2-クロロ-4-フルオロ-5-ニトロトルエン

2-Chloro-4-fluoro-5-nitrotoluene

HCID 10103979

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 112108-73-3
標準SMILES: Cc1cc([N+](=O)[O-])c(F)cc1Cl
InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N
分子式: C7H5ClFNO2
平均分子量: 189.57 g/mol
単同位体質量: 188.9992843

名称と識別子

優先名称: 2-Chloro-4-fluoro-5-nitrotoluene
IUPAC: 1-chloro-5-fluoro-2-methyl-4-nitrobenzene
現地名: 2-クロロ-4-フルオロ-5-ニトロトルエン
英語名: 1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE
分子式: C7H5ClFNO2
分子量: 189.57

名称と別名

2-Chloro-4-fluoro-5-nitrotoluene112108-73-3DTXSID60435612RefChem:258751DTXCID60386438834-027-11-chloro-5-fluoro-2-methyl-4-nitrobenzene1-chloro-5-fluoro-2-methyl-4-nitro-benzeneMFCD11110549Benzene, 1-chloro-5-fluoro-2-methyl-4-nitro-2-Chloro-4fluoro-5-nitrotolueneAKOS006308726

名称をさらに表示

2-クロロ-4-フルオロ-5-ニトロトルエン1-クロロ-5-フルオロ-2-メチル-4-ニトロベンゼン2-Chloro-4-fluoro-5-nitrotoluene,97%4-Chloro-2-fluoro-5-methylnitrobenzene1-CHLORO-5-FLUORO-2-METHYL-4-NITRO-BENZENE ISO 9001：2015 REACH4-Chloro-2-fluoro-5-methylnitrobenzene, 1-Chloro-5-fluoro-2-methyl-4-nitrobenzene

AS-11489C3273BCP12284FT-0699691SCHEMBL600893Chloro-4-fluoro-5-nitrotolueneSCHEMBL10714257SCHEMBL29936995

データベース識別子

CAS: 112108-73-3
PubChem CID: 10103979
DTXSID: DTXSID60435612
EC Number: 834-027-1

物性

構造計算による物性

XLogP: 2.8
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: 12
形式電荷: 0
複雑度: 185

物理化学的性質

融点: 34 · 34-36℃
沸点: 268 ℃ · 268℃
比重(密度): 1.417 · 1.417
闪点: 116 ℃ · 116℃
貯蔵温度: Sealed in dry,Room Temperature
外見: 粉
色: 黄色
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKey: YXVJHZWHPLOEAP-UHFFFAOYSA-N
SMILES: C1(Cl)=CC(F)=C([N+]([O-])=O)C=C1C

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 (50%): 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.