5-ブロモアントラニル酸

2-Amino-5-bromobenzoic acid

HCID 79858CAS 5794-88-7

基本情報

標準SMILES
Nc1ccc(Br)cc1C(=O)O
InChIKey
CUKXRHLWPSBCTI-UHFFFAOYSA-N
分子式
C7H6BrNO2
平均分子量
216.03 g/mol
単同位体質量
214.95819053

概要

structure in first source

名称と識別子

優先名称
2-Amino-5-bromobenzoic acid
IUPAC
2-amino-5-bromobenzoic acid
現地名
5-ブロモアントラニル酸
英語名
2-Amino-5-bromobenzoic acid
分子式
C7H6BrNO2
分子量
216.03

名称と別名

2-Amino-5-bromobenzoic acid5794-88-75-Bromoanthranilic acidAnthranilic acid, 5-bromo-Q30190723FNSC-97201DTXSID20206643RefChem:85251DTXCID50129134227-338-3Benzoic acid, 2-amino-5-bromo-2-Amino-5-bromobenzoicacid
名称をさらに表示
5-ブロモアントラニル酸2-アミノ-5-ブロモ安息香酸5-ブロモ-2-アミノ安息香酸2-アミノ-5-ブロモ安息香酸 5-ブロモアントラニル酸 臭化物2‐アミノ‐5‐ブロモ安息香酸2-Amino-5-bromobenzoicBUTTPARK 89\07-49RARECHEM AL BO 11835-bromo-anthranilicaci5-Bromoantharanilic Acid2-amino-5-bromo-benzoicaci
5-Bromo-2-aminobenzoic acidMFCD000078235-bromo anthranilic acid4-bromo-2-carboxyanilineNSC 97201STK298440A-5100SR-01000196285-1

データベース識別子

CAS
5794-88-7
PubChem CID
79858
DTXSID
DTXSID20206643
ChEMBL
CHEMBL1236103
UNII
Q30190723F
EC Number
227-338-3
Nikkaji
J218.053G

物性

構造計算による物性

XLogP
1.6
極性表面積
63.3 Ų
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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Aminobenzoic Acids
Physical DescriptionSolid; [Merck Index] Beige powder; [Alfa Aesar MSDS]

物理化学的性質

融点
213 · 213-215 °C (lit.)
沸点
265.51 °C · 265.51°C (rough estimate)
比重(密度)
1.6841 · 1.6841 (rough estimate)
屈折率
1.612 · 1.6120 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
メタノール、ジメチルスルホキシドに可溶。

化学的性質

化学的特性slight yellow to white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 54 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzoic acid, 2-amino-5-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryOral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Anthranilic acid.
Hazard Classes and CategoriesAcute Tox. 3 (79.6%)

安全データ

wgk
3
rtecs
CB2557670
ridadr
UN 2811 6.1/PG 3
hs_code
29224999
risk_code
22-36/37
hazard_code
Xn

化学と産業

用途と製造

UsesUsed in the determination of cobalt, copper, nickel, and zinc; [Merck Index]
応用分野 · 2 件

用途有機合成原料。

使用2-Amino-5-bromobenzoic acid is a brominated derivative of Antharilinic Acid (A679222). 2-Amino-5-bromobenzoic acid displays plant growth-regulator activity. 2-Amino-5-bromobenzoic acid is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors.

調製方法 · 1 件

製造方法2-Amino-5-bromobenzoic acid is synthesized from o-aminobenzoic acid by bromination.Synthesis of 2-amino-5-bromobenzoic acid (4c, CAS: 5794-88-7) and 2-amino3,5-dibromobenzoic acid (4d, CAS: 609-85-8): A solution of bromine (7.2 g, 2 mL, 40 mmol) in 47 mL glacial acetic acid was added dropwise to sodium 2-aminobenzoate (6.4 g, 40 mmol) in 32 mL of glacial acetic acid at 15 °С and the mixture was stirred for 1 h at the same temperature. The product was filtered off, washed with benzene and dried in the dark. The bromobenzoic acids containing mixture (0.5 g) was added to 10 mL of boiling water followed by the addition of 1.3 mL of concentrated hydrochloric acid and hot filtration under vacuum. The insoluble material contained 2-amino-3,5-dibromobenzoic acid, whereas 2- amino-5-bromobenzoic acid precipitated upon cooling of the filtrate.2-Amino-5-bromobenzoic acid (4c) IR (suspension in nujol, cm1 ): 3497, 3383, 1675, 1616, 1587, 1548, 1423, 1377, 1316, 1292, 1239, 1160, 1127, 812, 748, 691.

サプライヤー50 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

関連反応

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