4-アミノ-2,3,5,6-テトラフルオロベンゾニトリル

4-Amino-2,3,5,6-tetrafluorobenzonitrile

HCID 87322CAS 17823-38-0

部分構造検索類似構造を探す

基本情報

標準SMILES: N#Cc1c(F)c(F)c(N)c(F)c1F
InChIKey: ZFQKTZQBBRHWPC-UHFFFAOYSA-N
分子式: C7H2F4N2
平均分子量: 190.1 g/mol
単同位体質量: 190.01541072

名称と識別子

優先名称: 4-Amino-2,3,5,6-tetrafluorobenzonitrile
IUPAC: 4-amino-2,3,5,6-tetrafluorobenzonitrile
現地名: 4-アミノ-2,3,5,6-テトラフルオロベンゾニトリル
英語名: 4-AMINO-2,3,5,6-TETRAFLUOROBENZONITRILE
分子式: C7H2F4N2
分子量: 190.1

名称と別名

4-Amino-2,3,5,6-tetrafluorobenzonitrile4-AminotetrafluorobenzonitrileBenzonitrile, 4-amino-2,3,5,6-tetrafluoro-EINECS 241-783-0DTXSID7075131RefChem:97680DTXCID5035666241-783-017823-38-0MFCD000076454-Amino-2,3,5,6-Tetrafluoro-Benzonitrile4-amino-2,3,5,6-tetrafluorobenzenecarbonitrile

名称をさらに表示

4-アミノ-2,3,5,6-テトラフルオロベンゾニトリル４アミノ２·３·５·６テトラフルオロベンゾニトリル2,3,5,6-テトラフルオロ-4-アミノベンゾニトリル4-Amino-2,3,5,6-tetrafluorobenzonitrile99%4-Amino-2,3,5,6-tetrafluorobenzonitrile 99%

4-Cyano-2,3,5,6-tetrafluoroaniline, 4-Amino-2,3,5,6-tetrafluorobenzonitrileSCHEMBL5154882SCHEMBL6656796TIMTEC-BB SBB0002814-Aminotetrafluorobenzonitrile 99%SBB000281AKOS006222288AT26912

データベース識別子

CAS: 17823-38-0
PubChem CID: 87322
DTXSID: DTXSID7075131
EC Number: 241-783-0
Nikkaji: J287.160B

物性

構造計算による物性

XLogP: 1.4
極性表面積: 49.8 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 222

物理化学的性質

融点: 96 · 96-98 °C(lit.)
沸点: 234.9 · 234.9±40.0 °C(Predicted)
比重(密度): 1.712 g/cm3 · 1.712 g/cm3
貯蔵温度: 2 · 2-8°C, protect from light, stored under nitrogen
酸解離定数(Pka): -3.09 · -3.09±0.10(Predicted)
CAS データベース: 17823 · 17823-38-0(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4-Aminotetrafluorobenzonitrile (17823-38-0)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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 39 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
ridadr: 3439
hs_code: 2926907090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-37/39

化学と産業

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