CAS 5429-28-7 Benzoic acid, 4-(diethylamino)- (HCID 79480)

名称と識別子

優先名称: Benzoic acid, 4-(diethylamino)-
IUPAC: 4-(diethylamino)benzoic acid
現地名: 4-ジエチルアミノ安息香酸
英語名: 4-Diethylaminobenzoic acid
分子式: C11H15NO2
分子量: 193.24

名称と別名

4-(Diethylamino)benzoic acid5429-28-7Benzoic acid, 4-(diethylamino)-p-(Diethylamino)benzoic acidNSC 14115EINECS 226-582-8DTXSID9063877RefChem:565918DTXCID8041666226-582-84-Diethylaminobenzoic AcidMFCD00002538

名称をさらに表示

4-ジエチルアミノ安息香酸p-ジエチルアミノ安息香酸4-(ジエチルアミノ)安息香酸AKOS BBS-00003738RARECHEM AL BO 2370LABOTEST-BB LT008481914-(diethylamino)-benzoicaci4-Carboxy-N,N-diethylaniline4-DiethylaminobenzoicAcid>

4-N,N-Diethylaminobenzoic acidNSC-14115p-Diethylaminobenzoic aciddiethylaminobenzoic acid4-(diethylamino)benzoicChemDiv3_0141934-diethylamino benzoic acid4-diethylamino-benzoic acid

データベース識別子

CAS: 5429-28-7
PubChem CID: 79480
DTXSID: DTXSID9063877
ChEMBL: CHEMBL1535775
UNII: G7YGH249XU
EC Number: 226-582-8
Nikkaji: J81.027D

物性

構造計算による物性

XLogP: 2.3
極性表面積: 40.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 182

物理化学的性質

融点: 192 · 192-193 °C(lit.)
沸点: 329.46 °C · 329.46°C (rough estimate)
比重(密度): 1.117 · 1.117
屈折率: 1.5041 · 1.5041 (estimate)
闪点: 175 °C · 175°C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 熱メタノールに可溶。
外見: 微結晶性粉末
酸解離定数(Pka): 3.65 · 3.65±0.10(Predicted)
色: ライトグリーン
BRN: 2211601 · 2211601
主な用途: ペプチド合成
InChI: 1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey: LNYTUARMNSFFBE-UHFFFAOYSA-N
SMILES: CCN(CC)c1ccc(cc1)C(O)=O
CAS データベース: 5429 · 5429-28-7(CAS DataBase Reference)
EPAの化学物質情報: 4 · Benzoic acid, 4-(diethylamino)- (5429-28-7)

化学的性質

化学的特性light green fine crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 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 Information · 2 件

Chemical: Benzoic acid, 4-(diethylamino)-

Benzoic acid, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

法規制情報

Regulatory Information · 2 件

Chemical: Benzoic acid, 4-(diethylamino)-

Benzoic acid, 4-(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29224999
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 4-(diethylamino)-: ACTIVE

応用分野

使用4-(Diethylamino)benzoic acid is used as a reactant in the preparation of amides by acylation of amines using (acyl)benzotriazoles.

上流・下流製品情報

上流原料

サプライヤー69 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]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

化合物ノート

読み込み中…

4-ジエチルアミノ安息香酸

基本情報