4-クロロ-3-ニトロフェノル

4-Chloro-3-nitrophenol

HCID 69127CAS 610-78-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1cc(O)ccc1Cl
InChIKey: JUIKCULGDIZNDI-UHFFFAOYSA-N
分子式: C6H4ClNO3
平均分子量: 173.55 g/mol
単同位体質量: 172.98797067

名称と識別子

優先名称: 4-Chloro-3-nitrophenol
IUPAC: 4-chloro-3-nitrophenol
現地名: 4-クロロ-3-ニトロフェノル
英語名: 4-Chloro-3-nitrophenol
分子式: C6H4ClNO3
分子量: 173.55

名称と別名

4-Chloro-3-nitrophenol610-78-6Phenol, 4-chloro-3-nitro-DTXSID90209863NSC 211001RefChem:98450DTXCID40132354612-076-8InChI=1/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9JUIKCULGDIZNDI-UHFFFAOYSA-NMFCD000435464-chloro-3-nitro-phenol

名称をさらに表示

4-クロロ-3-ニトロフェノル3-ニトロ-4-クロロフェノール4-クロロ-3-ニトロフェノール4-クロロ-3-ニトロフェノ－ルTIMTEC-BB SBB0079304-Chloro-3-nitrophenol, A4-Chloro-3-Nitrophenol98%4-Chloro-3-nitrophenol >4-CHLORO-3-NITROPHENOL 98%2-Nitro-4-Hydroxyphenyl Chloride4-CHLORO-3-NITROPHENOL FOR SYNTHESIS

3-nitro-4-chlorophenol2-Chloro-5-hydroxynitrobenzene; 3-Nitro-4-chlorophenol; NSC 211001;NSC2110014chloro-3-nitrophenol4-Chlor-3-nitro-phenol3-nitro-4-chloro phenolSCHEMBL545300SCHEMBL6255476

データベース識別子

CAS: 610-78-6
PubChem CID: 69127
DTXSID: DTXSID90209863
EC Number: 612-076-8
Nikkaji: J95.665A

物性

構造計算による物性

XLogP: 1.9
極性表面積: 66.1 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: 0
重原子数: 11
形式電荷: 0
複雑度: 158

物理化学的性質

融点: 125 · 125-128 °C (lit.)
沸点: 308.8 · 308.8±27.0 °C(Predicted)
比重(密度): 1.554 · 1.554±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: 結晶性粉末
酸解離定数(Pka): 7.7 · 7.70±0.10(Predicted)
色: 茶色
BRN: 2094546 · 2094546
InChI: 1S/C6H4ClNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey: JUIKCULGDIZNDI-UHFFFAOYSA-N
SMILES: Oc1ccc(Cl)c(c1)[N+]([O-])=O
CAS データベース: 610 · 610-78-6(CAS DataBase Reference)

化学的性質

化学的特性yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information4-Chloro-3-nitrophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: 2811
hs_code: 29089000
risk_code: 20/21/22-36/37/38-36/37/381
hazard_code: Xn
safety_code: 26-36-36/37/39
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye 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

使用4-Chloro-3-nitrophenol may be used as sole carbon and energy supplement for Pseudomonas sp. JHN.

一般的な説明4-Chloro-3-nitrophenol is a chloronitrophenol, widely used as an important building block for the synthesis of dyes, drugs, explosives and pesticides. Degradation of 4-chloro-3-nitrophenol by Pseudomonas sp. JHN is reported.