2-フェニルプロピオニトリル

2-Phenylpropionitrile

HCID 15761CAS 1823-91-2

基本情報

標準SMILES
CC(C#N)c1ccccc1
InChIKey
NVAOLENBKNECGF-UHFFFAOYSA-N
分子式
C9H9N
平均分子量
131.17 g/mol
単同位体質量
131.07349929

名称と識別子

優先名称
2-Phenylpropionitrile
IUPAC
2-phenylpropanenitrile
現地名
2-フェニルプロピオニトリル
英語名
alpha-Methylphenylacetonitrile
分子式
C9H9N
分子量
131.17

名称と別名

1823-91-22-PHENYLPROPIONITRILEBenzeneacetonitrile, alpha-methyl-DTXSID10870913RefChem:89101DTXCID30818594217-354-92-Phenylpropanenitrilealpha-Methylphenylacetonitrilealpha-Methylbenzyl cyanideHydratroponitrileMFCD00001871
名称をさらに表示
2-フェニルプロピオニトリル2-フェニルプロパンニトリル2-フェニルプロピオノニトリルα-メチルベンジルシアニドα-メチルベンゼンアセトニトリルα-メチルフェニルアセトニトリルα-フェニルプロピオノニトリルシアン化 α-メチルベンジル2フェニルプロピオニトリル^Α-メチルフェニルアセトニトリル^α-メチルフェニルアセトニトリル, 97%シアン化α-メチルベンジルalpha-MethylbenzylBenzeneacetonitrile, α-Methyl-NSC 11264NSC 374853-Benzoyl-αα-CyanoethylbenzeneA-METHYLBENZYL CYANIDEà-methylbenzyl cyanide
Benzeneacetonitrile, .alpha.-methyl-A-Methylphenylacetonitrile.alpha.-Phenylpropionitrile.alpha.-Phenylethyl cyanide.alpha.-Methylbenzyl cyanide2-Phenylpropiononitrilea-methylbenzylcyanidealpha-Phenylpropionitrile

データベース識別子

CAS
1823-91-2
PubChem CID
15761
DTXSID
DTXSID10870913
EC Number
217-354-9
Nikkaji
J76.365I

物性

構造計算による物性

XLogP
2.1
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
1
回転可能結合数
1
重原子数
10

実験および物理化学的性質

Kovats Retention Index · 2 件

1227

2038

物理化学的性質

融点
210 °C · 210 °C(Solv: ethyl ether (60-29-7); chloroform (67-66-3))
沸点
231 °C · 231 °C
比重(密度)
0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.5106(lit.)
闪点
201 °F · 201 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性CLEAR VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (10%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (90%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (10%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (90%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (84%): 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, P317, 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 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

Regulatory InformationStatus: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29457
Hazard Classes and CategoriesAcute Tox. 3 (10%);Acute Tox. 4 (90%);Acute Tox. 3 (10%);Acute Tox. 4 (90%);Skin Irrit. 2 (96%);Eye Irrit. 2 (98%);Acute Tox. 3 (10%);Acute Tox. 4 (90%);STOT SE 3 (84%)

法規制情報

Regulatory InformationStatus: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29457

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 3276 6.1/PG 3
hs_code
29269090
risk_code
20/21/22-36/37/38
化審法
(3)-3119

化学と産業

用途と製造

General Manufacturing InformationBenzeneacetonitrile, .alpha.-methyl-: INACTIVE

応用分野

使用2-Phenylpropionitrile (cas# 1823-91-2) is a compound useful in organic synthesis.

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]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

関連反応

29 件

関連ノート

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