3-(トリフルオロメチル)ベンゾイルアセトニトリル

3-(Trifluoromethyl)benzoylacetonitrile

HCID 520304CAS 27328-86-5

基本情報

標準SMILES
N#CCC(=O)c1cccc(C(F)(F)F)c1
InChIKey
GEPORLBYZLQDOB-UHFFFAOYSA-N
分子式
C10H6F3NO
平均分子量
213.16 g/mol
単同位体質量
213.0401483

名称と識別子

優先名称
3-(Trifluoromethyl)benzoylacetonitrile
IUPAC
3-oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile
現地名
3-(トリフルオロメチル)ベンゾイルアセトニトリル
英語名
3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE
分子式
C10H6F3NO
分子量
213.16

名称と別名

3-(TRIFLUOROMETHYL)BENZOYLACETONITRILERefChem:496380641-235-427328-86-53-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile3-oxo-3-(3-(trifluoromethyl)phenyl)propanenitrile2-Cyano-3'-(trifluoromethyl)acetophenone3-TrifluoromethylbenzoylacetonitrileMFCD000523153-Oxo-3-(3-trifluoromethyl-phenyl)-propionitrile2-Cyano-3 inverted exclamation mark -(trifluoromethyl)acetophenone3-(Frifluorome
名称をさらに表示
3-(トリフルオロメチル)ベンゾイルアセトニトリル3-(triflouromethyl)benzoylacetonitrile3-(Trifluoromethyl)benzoylacetonitrile97%3-(Trifluoromethyl)benzoylacetonitrile 97%β-Oxo-3-(trifluoromethyl)benzenepropanenitrileBenzenepropanenitrile, β-oxo-3-(trifluoromethyl)-3-Oxo-3-[3-(trifluoromethyl)phenyl]propanenitrile, 3-(Cyanoacetyl)benzotrifluoride, 3-(2-Cyanoethanoyl)benzotrifluoride
3-(Frifluoromethyl)benzoylacetonitrileMaybridge1_000123MixCom1_000233SCHEMBL139194orb3030886SCHEMBL30951019DTXSID40334311Fr13220

データベース識別子

CAS
27328-86-5
PubChem CID
520304
DTXSID
DTXSID40334311
EC Number
641-235-4
Nikkaji
J1.494.702G

物性

構造計算による物性

XLogP
2.4
極性表面積
40.9 Ų
水素結合供与体数
0
水素結合受容体数
5
回転可能結合数
2
重原子数
15

物理化学的性質

融点
60 · 60-62°C
沸点
280 · 280.0±40.0 °C(Predicted)
比重(密度)
1.296 · 1.296±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · Storage temp. -20°C
溶解性
Chloroform (Very Slightly), DMSO (Slightly)
外見
solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (20%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (20%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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.

安全データ

ridadr
3439
hs_code
2926907090
risk_code
20/21/22-36/37/38
hazard_code
T
hazard_note
Toxic
safety_code
26-36/37/39

化学と産業

応用分野

使用3-(Trifluoromethyl)benzoylacetonitrile is used as a pharmaceutical intermediate.

サプライヤー50 社

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

関連反応

5 件

関連ノート

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