CAS 6361-21-3 2-Chloro-5-nitrobenzaldehyde (HCID 72933)

名称と識別子

優先名称: 2-Chloro-5-nitrobenzaldehyde
IUPAC: 2-chloro-5-nitrobenzaldehyde
現地名: 2-クロロ-5-ニトロベンズアルデヒド
英語名: 2-Chloro-5-nitrobenzaldehyde
分子式: C7H4ClNO3
分子量: 185.56

名称と別名

2-Chloro-5-nitrobenzaldehyde6361-21-3Benzaldehyde, 2-chloro-5-nitro-3-Nitro-6-chlorobenzaldehydePF4ILL0I3HEINECS 228-830-05-nitro-2-chlorobenzaldehydeNSC 129753BRN 0743764NSC-129753DTXSID80222404-07-00-00609 (Beilstein Handbook Reference)

名称をさらに表示

2-クロロ-5-ニトロベンズアルデヒド5-ニトロ-2-クロロベンズアルデヒド2クロロ5ニトロベンズアルデヒド2‐クロロ‐5‐ニトロベンズアルデヒドKQFK TFAAKOS B022478ASISCHEM R37046AKOS BBS-00003267Chloro-5-nitrobenzaldehBelumosudil Impurity 282-Chlor-5-nitrobenzaldehyd2-CHLORO-5-NITROBENALDEHYDE2-Choro-5-Nitrobenzaldehyde

6-CHLORO-3-NITROBENZALDEHYDERefChem:469424DTXCID802240228-830-0MFCD000072932-chloro-5-nitro-benzaldehydeUNII-PF4ILL0I3HNSC129753

データベース識別子

CAS: 6361-21-3
PubChem CID: 72933
DTXSID: DTXSID8022240
UNII: PF4ILL0I3H
EC Number: 228-830-0
Nikkaji: J54.483C

物性

構造計算による物性

XLogP: 2
極性表面積: 62.9 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 192

物理化学的性質

融点: 75 · 75-77 °C (lit.)
沸点: 276.5 °C · 276.5°C (rough estimate)
比重(密度): 1.4791 · 1.4791 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
外見: 結晶性粉末
色: ペールイエロー
BRN: 743764 · 743764
InChI: InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H
InChIKey: VFVHWCKUHAEDMY-UHFFFAOYSA-N
SMILES: C(=O)C1=CC([N+]([O-])=O)=CC=C1Cl
CAS データベース: 6361 · 6361-21-3(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzaldehyde, 2-chloro-5-nitro- (6361-21-3)

化学的性質

化学的特性light yellow to beige-yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

安全データ

F: 10
wgk: 2
tsca: TSCA listed
rtecs: CU5220000
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant/Air Sensitive
safety_code: 22-24/25-37/39-26-36
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 2-chloro-5-nitro-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-Chloro-5-nitrobenzaldehyde was used in the synthesis of 5-nitro-2-(1H-pyrrol-1-yl)benzaldehyde.

一般的な説明2-Chloro-5-nitrobenzaldehyde undergoes condensation reaction with 2-methyl-1-propenylbenzimidazole to yield (E,Z)-2-(2-chloro-5-nitrostyryl)-1-(1-propenyl)benzimidazole. It reacts with 5-aminopyrazoles to yield symmetrical bispyrazolo[3,4-]pyridines.