(3-メトキシフェニル)アセトニトリル

(3-Methoxyphenyl)acetonitrile

HCID 88310CAS 19924-43-7

基本情報

標準SMILES
COc1cccc(CC#N)c1
InChIKey
LXKNAUOWEJWGTE-UHFFFAOYSA-N
分子式
C9H9NO
平均分子量
147.17 g/mol
単同位体質量
147.06841391

名称と識別子

優先名称
(3-Methoxyphenyl)acetonitrile
IUPAC
2-(3-methoxyphenyl)acetonitrile
現地名
(3-メトキシフェニル)アセトニトリル
英語名
(3-Methoxyphenyl)acetonitrile
分子式
C9H9NO
分子量
147.17

名称と別名

19924-43-7(3-Methoxyphenyl)acetonitrile3-MethoxyphenylacetonitrileBenzeneacetonitrile, 3-methoxy-(m-Methoxyphenyl)acetonitrilem-Methoxy benzyl cyanideEINECS 243-428-5DTXSID60173704NSC 143401RefChem:69128DTXCID5096195243-428-5
名称をさらに表示
(m-メトキシフェニル)アセトニトリル3-メトキシベンゼンアセトニトリル(3-メトキシフェニル)アセトニトリル3-メトキシフェニルアセトニトリル3-メトキシベンジルシアニド3メトキシフェニルアセトニトリルmメトキシベンジルシアナイド(3‐メトキシフェニル)アセトニトリル2-(3-メトキシフェニル)アセトニトリルM-METHOXYBENZONITRILEAKOS B004087M-ANISONITRILE3-CYANOANISOLE3-ANISONITRILEm-Anisyl cyanide(3-Methoxyphenyl)aceEmbutramide Impurity 13-Methoxyphenylactonitrile
InChI=1/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1HLXKNAUOWEJWGTE-UHFFFAOYSA-N2-(3-methoxyphenyl)acetonitrile3-Methoxybenzyl cyanideMFCD000019103-methoxybenzeneacetonitrile2-(3-methoxyphenyl)ethanenitrileNSC-143401

データベース識別子

CAS
19924-43-7
PubChem CID
88310
DTXSID
DTXSID60173704
ChEMBL
CHEMBL2228958
ChEBI
CHEBI:194899
UNII
7W4V7EEP5V
EC Number
243-428-5
Nikkaji
J62.876J

物性

構造計算による物性

XLogP
1.5
極性表面積
33 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
2
重原子数
11

実験および物理化学的性質

Kovats Retention Index1379.4;1372

物理化学的性質

融点
8 C · 8C
沸点
164 · 164-165 °C/20 mmHg (lit.)
比重(密度)
1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.5402(lit.)
闪点
221 °F · 221 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.8% (1 of 56) of reports.

Danger

H301 (28.6%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (16.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (16.1%): Fatal if inhaled [Danger Acute toxicity, inhalation];H335 (73.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, 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 56 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 56 reports by companies.;There are 7 notifications provided by 55 of 56 reports by companies with hazard statement code(s).;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 Information · 2 件

Status: Active Update: 19-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19545

(3-Methoxyphenyl)acetonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (28.6%);Acute Tox. 3 (16.1%);Skin Irrit. 2 (75%);Eye Irrit. 2A (75%);Acute Tox. 2 (16.1%);STOT SE 3 (73.2%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 19-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19545

(3-Methoxyphenyl)acetonitrile: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
ridadr
3276
hs_code
29269095
risk_code
20/21/22-36/37/38
化審法
(3)-1786
消防法
危-4-3-III

化学と産業

応用分野

使用3-Methoxyphenylacetonitrile is used in the synthesis of isoflavones which inhibit epithelial cell proliferation and induce apoptosis in vitro.

サプライヤー50 社

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]
上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]

関連反応

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