4-(Methylamino)benzoic acid (HCID 66345)

概要

N-Methyl-4-aminobenzoate is an aminobenzoic acid.

名称と識別子

優先名称: 4-(Methylamino)benzoic acid
IUPAC: 4-(methylamino)benzoic acid
現地名: 4-(メチルアミノ)安息香酸
英語名: 4-(Methylamino)benzoic acid
分子式: C8H9NO2
分子量: 151.16

名称と別名

4-(Methylamino)benzoic acid10541-83-0Benzoic acid, 4-(methylamino)-4-Methylaminobenzoic acidN-Methyl-4-aminobenzoic acid4-(N-Methylamino)benzoic acidp-Methylaminobenzoic acidBenzoic acid, p-(methylamino)-ARU98Z0OZYNSC-102506DTXSID8065117RefChem:516328

名称をさらに表示

4-(メチルアミノ)安息香酸p-(メチルアミノ)安息香酸4-メチルアミノ安息香酸４（メチルアミノ）安息香酸4-MABANSC 1025064-(methylamino)benzoateBenzoic acid Impurity 4Balofloxacin Impurity 2Benzoic acid Impurity 114-(methylamino)-benzoicaciPARA-METHYLAMINOBENZOICACID

DTXCID4032956234-121-7N-Methyl-4-aminobenzoatep-(Methylamino)benzoic acidMFCD00002535p-Carboxy-N-methylanilinep-(N-Methylamino)benzoic acid4-Methylamino-benzoic acid

データベース識別子

CAS: 10541-83-0
PubChem CID: 66345
DTXSID: DTXSID8065117
ChEMBL: CHEMBL3098156
ChEBI: CHEBI:7308
UNII: ARU98Z0OZY
EC Number: 234-121-7
Nikkaji: J139.221B

物性

構造計算による物性

XLogP: 2.2
極性表面積: 49.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 139

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids

Physical DescriptionBeige powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 160 · 160-162 °C (lit.)
沸点: 273.17 °C · 273.17°C (rough estimate)
比重(密度): 1.2023 · 1.2023 (rough estimate)
屈折率: 1.581 · 1.5810 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: やや溶ける。アルコールに可溶。
酸解離定数(Pka): 5.04 · 5.04(at 25℃)
外見: 個体
色: オフホワイトからダークベージュ
BRN: 2082805 · 2082805
主な用途: ペプチド合成
InChI: InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey: ZVIDMSBTYRSMAR-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(NC)C=C1
CAS データベース: 10541 · 10541-83-0(CAS DataBase Reference)
NISTの化学物質情報: 4 · Benzoic acid, 4-(methylamino)-(10541-83-0)
EPAの化学物質情報: 4 · Benzoic acid, 4-(methylamino)- (10541-83-0)

化学的性質

化学的特性white to beige powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 21-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24568

Hazards SummaryAn eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (10541-83-0[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See p-Aminosalicylic acid.

Hazard Classes and CategoriesAcute Tox. 4 (89.8%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2922290090
risk_code: 22-43-36/37/38-51/53-40
化審法: (3)-1449
hazard_code: Xn,Xi,N
safety_code: 36/37-37/39-26-61
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1
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-(methylamino)-: INACTIVE

応用分野

説明4-(Methylamino) benzoic acid is an important intermediate for production of pharmaceutical products, dyes, flavors and preservatives.

使用4-(Methylamino)benzoic acid important for the preparation of other pharmaceutical products, dyes, flavors, and preservatives. .For the preparation of medicines and other fine chemicals.