2-クロロ-5-ニトロ安息香酸

2-Chloro-5-nitrobenzoic acid

HCID 17287CAS 2516-96-3
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C(O)c1cc([N+](=O)[O-])ccc1Cl
InChIKey
QUEKGYQTRJVEQC-UHFFFAOYSA-N
分子式
C7H4ClNO4
平均分子量
201.56 g/mol
単同位体質量
200.98288529

概要

structure in first source

名称と識別子

優先名称
2-Chloro-5-nitrobenzoic acid
IUPAC
2-chloro-5-nitrobenzoic acid
現地名
2-クロロ-5-ニトロ安息香酸
英語名
2-Chloro-5-nitrobenzoic acid
分子式
C7H4ClNO4
分子量
201.56

名称と別名

2-CHLORO-5-NITROBENZOIC ACID2516-96-3Benzoic acid, 2-chloro-5-nitro-P27EEY2MW8NSC-8441DTXSID9062485RefChem:86308DTXCID5037232219-739-76-Chloro-3-nitrobenzoic acid2-Chloro-5-nitrobenzoicacid2-chloro-5-nitro-benzoic acid
名称をさらに表示
2-クロロ-5-ニトロ安息香酸5-ニトロ-2-クロロ安息香酸2クロロ5ニトロ安息香酸2-ロロ-5-ニトロ安息香酸 塩化物2‐クロロ‐5‐ニトロ安息香酸2-クロロ-5-ニトロ安息香酸, 98+%2-ロロ-5-ニトロ安息香酸LABOTEST-BB LT008472092,5-CNBARARECHEM AL BO 0234Mesalazine IMpurity-MMesalaMine IMpurity MMesalamine Impurity 3Chloro-5-nitrobenzoicA2-Chloro-5-nitrobenzoicoro-5-nitrobenzoic acid
MFCD000072945-nitro-2-chlorobenzoic acidNSC 8441SCHEMBL2312222-chloro-5-nitrobenzoyl alcohol2-Chloro-5-nitrobenzoic acid, 97%BBL008923STK498300

データベース識別子

CAS
2516-96-3
PubChem CID
17287
DTXSID
DTXSID9062485
ChEMBL
CHEMBL2179897
UNII
P27EEY2MW8
EC Number
219-739-7
Nikkaji
J26.924G

物性

構造計算による物性

XLogP
2
極性表面積
83.1 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
1
重原子数
13

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitrobenzoic Acids
SpringerMaterials PropertiesCrystal structure
Vapor Pressure0.0000189 [mmHg]
Physical DescriptionPale yellow odorless powder; [Alfa Aesar MSDS]

物理化学的性質

融点
165 · 165-168 °C (lit.)
沸点
356.5 · 356.5±27.0 °C(Predicted)
比重(密度)
1.6 · 1.6
屈折率
1.6 · 1.6000 (estimate)
闪点
100 °C · >100°C
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性light yellow to light yellow-green crystalline

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzoic acid, 2-chloro-5-nitro-

Status: Active Update: 14-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11817

2-Chloro-5-nitrobenzoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See 3-Nitrobenzoic acid.
Hazard Classes and CategoriesAcute Tox. 4 (71.4%)

安全データ

wgk
1
tsca
TSCA listed
ridadr
UN3077 9/PG 3
hs_code
29163900
risk_code
22-37/38-41-50-36/37/38
化審法
(3)-1502

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 2-chloro-5-nitro-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

一般的な説明2-Chloro-5-nitrobenzoic acid undergoes microwave-assisted, regioselective amination reaction with aliphatic and aromatic amines to yield N-substituted 5-nitroanthranilic acid derivatives. It acts as ligand and forms a red luminescent one dimensional coordination polymer with Eu(III).

上流・下流製品情報

サプライヤー50 社

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INTATRADE GmbH+49 3493/605464 · [email protected]
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