2-フルオロベンジル シアニド

Benzeneacetonitrile, 2-fluoro-

HCID 67592

基本情報

CAS
326-62-5
標準SMILES
N#CCc1ccccc1F
InChIKey
DAVJMKMVLKOQQC-UHFFFAOYSA-N
分子式
C8H6FN
平均分子量
135.14 g/mol
単同位体質量
135.04842736

名称と識別子

優先名称
Benzeneacetonitrile, 2-fluoro-
IUPAC
2-(2-fluorophenyl)acetonitrile
現地名
2-フルオロベンジル シアニド
英語名
2-Fluorobenzyl cyanide
分子式
C8H6FN
分子量
135.14

名称と別名

326-62-52-Fluorophenylacetonitrileo-FluorophenylacetonitrileBenzeneacetonitrile, 2-fluoro-o-Fluorobenzyl cyanideAcetonitrile, (o-fluorophenyl)-2-FLUOROBENZENEACETONITRILEEINECS 206-313-0NSC 88280DTXSID1059810RefChem:562953DTXCID0038540
名称をさらに表示
2-フルオロベンジル シアニド2フルオロフェニルアセトニトリル2フルオロフエニルアセトニトリル2-フルオロベンジルシアニド2-フルオロフェニルアセトニトリルO-フルオロフェニルアセトニトリル2-フルオロフェニルアセトニトリル, 97%Endothelin 1,TFAo-Fluorobenzyl nitrile2-Fluorophenylacetonitr2-FluorobenzylCyanide>2-Fluoroethylene nitrile2-Fluorophdnylacetonitrile
206-313-0InChI=1/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2-(2-fluorophenyl)acetonitrile2-Fluorobenzyl cyanide(2-fluorophenyl)acetonitrileMFCD000018972-(2-fluorophenyl)ethanenitrileNCIOpen2_001403

データベース識別子

CAS
326-62-5
PubChem CID
67592
DTXSID
DTXSID1059810
EC Number
206-313-0
Nikkaji
J193.744H

物性

構造計算による物性

XLogP
1.9
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
1
重原子数
10

物理化学的性質

沸点
114 · 114-117 °C/20 mmHg (lit.)
比重(密度)
1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.5009(lit.)
闪点
110 °F · 110 °F
貯蔵温度
Sealed in dry,Room Temperature
外見
clear liquid

化学的性質

化学的特性clear colorless to yellow-brownish liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (10.6%): Flammable liquid and vapor [Warning Flammable liquids];H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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

Hazard Classes and CategoriesFlam. Liq. 3 (10.6%);Acute Tox. 4 (97.9%);Acute Tox. 4 (97.9%);Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);Acute Tox. 4 (97.9%);STOT SE 3 (87.2%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29269090
risk_code
10-20/21/22-36/37/38
消防法
危-4-2-III

化学と産業

用途と製造

General Manufacturing InformationBenzeneacetonitrile, 2-fluoro-: INACTIVE

応用分野

用途有機合成原料。

使用2-Fluorophenylacetonitrile was used in the synthesis of (Z)-2-(2-fluorophenyl)-3-(1H-pyrrol-2-yl)acrylonitrile.

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

関連反応

36 件

化合物ノート

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