Ethyl 4-cyanobenzoate (HCID 81589)

名称と識別子

優先名称: Ethyl 4-cyanobenzoate
IUPAC: ethyl 4-cyanobenzoate
現地名: 4-シアノ安息香酸エチル
英語名: Ethyl 4-cyanobenzoate
分子式: C10H9NO2
分子量: 175.18

名称と別名

Ethyl 4-cyanobenzoate7153-22-2Benzoic acid, 4-cyano-, ethyl esterDTXSID10221769EINECS 230-500-6NSC 626894-Cyanobenzoic acid, ethyl esterBENZOIC ACID,4-CYANO,ETHYL ESTERRefChem:138762DTXCID90144260230-500-6InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H

名称をさらに表示

4-シアノ安息香酸エチルエチル４シアノベンゾエトエチル 4-シアノベンゾアートp-ｼｱﾉ安息香酸ｴﾁﾙRARECHEM AL BI 0074ethyl cyanobenzoateEthyl p-cyanobenzoateEthyl 4-cyanobenzoate 99%Ethyl 4-cyanobenzoate,99%Ethyl 4-cyanobenzoate, 97.5%P-CYANOBENZOIC ACID ETHYL ESTER

JLSSWDFCYXSLQX-UHFFFAOYSA-NBenzoic acid, 4-cyano-,ethyl esterMFCD000018244-cyanobenzoic acid ethyl esterp-cyano ethyl benzoate4-Cyano-benzoic acid ethyl esterNSC62689NSC-62689

データベース識別子

CAS: 7153-22-2
PubChem CID: 81589
DTXSID: DTXSID10221769
EC Number: 230-500-6
Nikkaji: J227.417E

物性

構造計算による物性

XLogP: 2.5
極性表面積: 50.1 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 220

実験および物理化学的性質

Kovats Retention Index1393

物理化学的性質

融点: 52 · 52-54 °C (lit.)
沸点: 140 °C/11mmHg · 140°C/11mmHg(lit.)
比重(密度): 1.1999 · 1.1999 (rough estimate)
屈折率: 1.506 · 1.5060 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: powder to crystal
色: White to Almost white
InChI: 1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
InChIKey: JLSSWDFCYXSLQX-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)C#N
CAS データベース: 7153 · 7153-22-2(CAS DataBase Reference)
NISTの化学物質情報: 4 · Ethyl 4-cyanobenzoate(7153-22-2)

化学的性質

化学的特性white to light yellow crystalline powder

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 (97.5%): 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 40 reports by companies from 3 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 (97.5%)

安全データ

wgk: 3
hs_code: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

上流・下流製品情報

上流原料

テレフタロニトリル炭素ジオン亜鉛ジシアニド 4-ブロモ安息香酸エチルトリフルオロ酢酸エチル 4-ブロモベンゾニトリルエタノール 4-シアノベンズアルデヒド 4-シアノ安息香酸 Benzeneacetonitrile, α-[(1,1-dimethylethyl)imino]-

下流製品

4-(アミノメチル)安息香酸エチル Benzoic acid, 4-cyano-, hydrazide (9CI)

サプライヤー50 社

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

4-シアノ安息香酸エチル

基本情報