4-Fluoro-2-nitrotoluene (HCID 67965)

名称と識別子

優先名称: 4-Fluoro-2-nitrotoluene
IUPAC: 4-fluoro-1-methyl-2-nitrobenzene
現地名: 4-フルオロ-2-ニトロトルエン
英語名: 4-Fluoro-2-nitrotoluene
分子式: C7H6FNO2
分子量: 155.13

名称と別名

4-Fluoro-2-nitrotoluene446-10-64-Fluoro-1-methyl-2-nitrobenzeneEINECS 207-161-8SKWTUNAAJNDEIK-UHFFFAOYSA-DTXSID80196233NSC 60725RefChem:523134DTXCID90118724207-161-8InChI=1/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H32-nitro-4-fluorotoluene

名称をさらに表示

4-フルオロ-2-ニトロトルエン2-ニトロ-4-フルオロトルエン4-フルオロ-1-メチル-2-ニトロベンゼン2-ニトロ-4-フルオロ-1-メチルベンゼン4-フルオロ2-ニトロトルエン4‐フルオロ‐2‐ニトロトルエンFluoronitrotoluene4Afatinib Impurity 972-nitro-4-fluorotoluol2-Nitri-4-fluorotoluene4-fluoro-2-nitrobenzene4-Fluoro-2-nitrotoluene98%

Benzene, 4-fluoro-1-methyl-2-nitro-MFCD00007200Toluene, 4-fluoro-2-nitro-4-fluoro-1-methyl-2-nitro-benzeneNSC-607254-fluoro-2-nitro tolueneNSC607254-fluoronitrotoluene

データベース識別子

CAS: 446-10-6
PubChem CID: 67965
DTXSID: DTXSID80196233
UNII: VC9M78LMH5
EC Number: 207-161-8
Nikkaji: J149.802I

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: 157

物理化学的性質

融点: 27 °C · 27 °C(lit.)
沸点: 138 · 138-139 °C83 mm Hg(lit.)
比重(密度): 1.26 · 1.26
屈折率: 20 · n20/D 1.522(lit.)
闪点: 210 °F · 210 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: 液体
比重: 1.26 · 1.260
色: 澄んだ黄色から琥珀色
BRN: 1946051 · 1946051
InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1[N+]([O-])=O
CAS データベース: 446 · 446-10-6(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzene, 4-fluoro-1-methyl-2-nitro-(446-10-6)

化学的性質

化学的特性colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): 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 49 reports by companies from 9 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 CategoriesAcute Tox. 4 (98%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (95.9%)；Eye Irrit. 2 (95.9%)；Acute Tox. 4 (14.3%)；STOT SE 3 (93.9%)