2-Amino-6-chlorobenzoic acid (HCID 75071)

名称と識別子

優先名称: 2-Amino-6-chlorobenzoic acid
IUPAC: 2-amino-6-chlorobenzoic acid
現地名: 6-クロロアントラニル酸
英語名: 2-Amino-6-chlorobenzoic acid
分子式: C7H6ClNO2
分子量: 171.58

名称と別名

2-Amino-6-chlorobenzoic acid2148-56-3DTXSID401757616CABA cpdRefChem:85309DTXCID1098252218-416-86-Chloroanthranilic acidMFCD00051530Benzoic acid, 2-amino-6-chloro-2-amino-6-chloro-benzoic acid6-Chloranthranilsaure

名称をさらに表示

6-クロロアントラニル酸2-アミノ-6-クロロ安息香酸塩化物 6-クロロアントラニル酸2-アミノ-6-クロロ安息香酸クロル-アミノ安息香酸2‐アミノ‐6‐クロロ安息香酸2-アミノ-6-クロロ安息香酸, 98%LAQU-001RARECHEM AL BO 1514TIMTEC-BB SBB0017352-Amino-6-chlorobenz6-chloro-2-aMino acidAMino-6-chlorobenzoic acid6-AMINO-2-CHLOROBENZOC ACID2-choro-6-Aminobenzoic Acid2 mino-6-chlorobenzoic acid

NSC171896-chloro anthranilic acid2Amino-6-chlorobenzoic acidSCHEMBL1474372-amino-6-chloro benzoic acidorb2939778SCHEMBL1803965CS-D1462

データベース識別子

CAS: 2148-56-3
PubChem CID: 75071
DTXSID: DTXSID40175761
EC Number: 218-416-8
Nikkaji: J80.401K

物性

構造計算による物性

XLogP: 1.5
極性表面積: 63.3 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: 1
重原子数: 11
形式電荷: 0
複雑度: 163

物理化学的性質

融点: 158 · 158-160 °C (lit.)
沸点: 250 °C · 250°C (rough estimate)
比重(密度): 1.3246 · 1.3246 (rough estimate)
屈折率: 1.556 · 1.5560 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 0.97 · 0.97±0.10(Predicted)
外見: 結晶性粉末
色: ライトイエローからベージュ
水溶解度: 水に非常に溶けやすい。メタノールに可溶。
BRN: 2804041 · 2804041
主な用途: ペプチド合成
InChI: InChI=1S/C7H6ClNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey: SZCPTRGBOVXVCA-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=C(Cl)C=CC=C1N
CAS データベース: 2148 · 2148-56-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Amino-6-chlorobenzoic acid(2148-56-3)

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 54 reports by companies from 9 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: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26144

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29224999
risk_code: 36/37/38
化審法: (3)-1480
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

用途有機合成原料。

使用2-Amino-6-chlorobenzoic acid is used as intermediate for medicine.

調製方法 · 1 件

製造方法A, in the reaction vessel being provided with agitator, thermometer, reflux condenser, Dropping funnel, add cerium chloride 0.16mol, 4-hydroxy 3-methoxybenzene ethanol solution 0.19mol, Klorvess Liquid 400-500ml, control mixing speed and exist 160-190rpm, rising solution temperature, to 60-65°C, is slowly added to 2-chloro-6-nitrobenzoyl acid solution 0.13mol, sulfurous acid Hydrogen potassium solution 200ml, raises mixing speed to 260-310rpm, back flow reaction 5-7h；B, reduction solution temperature, to 15-19°C, separate out solid, filter, and add diammonium hydrogen citrate solution 150-in filtrate 180ml, concentrating under reduced pressure, separate out solid, filter, dehydrant is dehydrated, brine, and pyridine solution washs, ethyl acetate solution Middle recrystallization, obtains crystal 2-amino-6-chlorobenzoic acid (C7H6ClNO2).