Benzene, 2-fluoro-4-methyl-1-nitro- (HCID 67966)

名称と識別子

優先名称: Benzene, 2-fluoro-4-methyl-1-nitro-
IUPAC: 2-fluoro-4-methyl-1-nitrobenzene
現地名: 3-フルオロ-4-ニトロトルエン
英語名: 3-Fluoro-4-nitrotoluene
分子式: C7H6FNO2
分子量: 155.13

名称と別名

3-Fluoro-4-nitrotoluene446-34-42-Fluoro-4-methyl-1-nitrobenzeneBenzene, 2-fluoro-4-methyl-1-nitro-gamma-Cyclodextrin, 2-hydroxypropyl ethersEINECS 207-166-5NSC 25756AI3-52229DTXSID6060002RefChem:562575DTXCID4040343207-166-5

名称をさらに表示

3-フルオロ-4-ニトロトルエン2-フルオロ-4-メチル-1-ニトロベンゼン1-ニトロ-2-フルオロ-4-メチルベンゼン3-フルオロ4-ニトロトルエン3‐フルオロ‐4‐ニトロトルエン3-fluoro-4-nitrobenzenePIDKD3-Fluor-4-nitrotoluol3-Fluoro-4-nitrotluene3-fluoro-4-Nitrotoluol2-FLUORO-4-METHYL-1-NIT3-Fluoro-4-nitrotoluene>3-Fluoro-4-nitrotoluene 99%

MFCD000070535-Methyl-2-nitrofluorobenzene2-fluoro-4-methyl-1-nitro-benzene2-Fluoro-4-methylnitrobenzeneNSC257563-fluoro4-nitrotoluene4-nitro-3-fluorotoluene3-fluoro-4-nitro toluene

データベース識別子

CAS: 446-34-4
PubChem CID: 67966
DTXSID: DTXSID6060002
EC Number: 207-166-5
Nikkaji: J196.142J

物性

構造計算による物性

XLogP: 2.2
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: 52 · 52-55 °C (lit.)
沸点: 97 · 97-98 °C/3 mmHg (lit.)
比重(密度): 1 · 1,438 g/cm3
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
水溶解度: Insoluble in water
外見: powder to crystal
色: Light orange to Yellow to Green
BRN: 2502584 · 2502584
InChI: InChI=1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChIKey: WZMOWQCNPFDWPA-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(C)C=C1F
CAS データベース: 446 · 446-34-4(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Fluoro-4-nitrotoluene(446-34-4)
EPAの化学物質情報: 3 · 3-Fluoro-4-nitrotoluene (446-34-4)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96%): 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 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (98%): 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 50 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 (96%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (98%)；STOT SE 3 (98%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN2811
hs_code: 29049090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37-45-37-28A-24/25
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzene, 2-fluoro-4-methyl-1-nitro-: INACTIVE

応用分野

使用3-Fluoro-4-nitrotoluene has been used in the preparation of IκB kinase (IKK) inhibitor, BMS [N1-(1,8-dimethylimidazo[1,2-a]quinolin-4-yl)-ethane-1,2-diamine].