3,4-ジフルオロニトロベンゼン

1,2-Difluoro-4-nitrobenzene

HCID 123053CAS 369-34-6
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1ccc(F)c(F)c1
InChIKey
RUBQQRMAWLSCCJ-UHFFFAOYSA-N
分子式
C6H3F2NO2
平均分子量
159.09 g/mol
単同位体質量
159.01318466

名称と識別子

優先名称
1,2-Difluoro-4-nitrobenzene
IUPAC
1,2-difluoro-4-nitrobenzene
現地名
3,4-ジフルオロニトロベンゼン
英語名
3,4-Difluoronitrobenzene
分子式
C6H3F2NO2
分子量
159.09

名称と別名

3,4-Difluoronitrobenzene1,2-Difluoro-4-nitrobenzeneRUBQQRMAWLSCCJ-UHFFFAOYSA-RefChem:411641206-718-2InChI=1/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H369-34-6Benzene, 1,2-difluoro-4-nitro-3,4-difluoro-1-nitrobenzene1,2-difluoro-4-nitro-benzeneMFCD000071983,4-Difluoro nitrobenzene
名称をさらに表示
3,4-ジフルオロニトロベンゼン3,4-ジフルオロ-1-ニトロベンゼン1,2-ジフルオロ-4-ニトロベンゼン1-ニトロ-3,4-ジフルオロベンゼン3，4ジフルオロニトロベンゼン3,4‐ジフルオロニトロベンゼンLinezolid Impurity 13uoronitrobenzene3,4-Difluoronitroben4-DifluoronitrobenzeneLinezolid Nitro Impurity1,2-Difluor-4-nitrobenzol3, 4-2 fluoro nitrobenzene
3, 4-difluoronitrobenzene3, 4-difluoro nitrobenzene3,4-difluoro-nitro benzeneAKOS015888122AS-14509Z3626265861-Nitro-3,4-difluorobenzeneBRN 1944996

データベース識別子

CAS
369-34-6
PubChem CID
123053
DTXSID
DTXSID00190379
UNII
B3RMA758VG
EC Number
206-718-2
Nikkaji
J135.066H

物性

構造計算による物性

XLogP
2.1
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
0
重原子数
11

物理化学的性質

融点
-12 C · -12C
沸点
76 · 76-80 °C/11 mmHg (lit.)
比重(密度)
1.437 g/mL · 1.437 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.509(lit.)
闪点
177 °F · 177 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.8%): 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 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (10.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, 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 47 reports by companies from 7 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

Regulatory InformationStatus: Active Update: 30-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21047
Hazard Classes and CategoriesAcute Tox. 4 (14.9%)；Acute Tox. 4 (12.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (12.8%)；STOT SE 3 (97.9%)；STOT RE 2 (10.6%)

法規制情報

Regulatory InformationStatus: Active Update: 30-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21047

安全データ

wgk
3
rtecs
CZ5710000
ridadr
2810
hs_code
29049090
risk_code
36/37/38-20/21/22
安衛法
変異原性物質

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用3,4-Difluoronitrobenzene was used in the preparation of xanthones and acridones.

一般的な説明The experimental and computational thermochemical study of 3,4-difluoronitrobenzene was studied.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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