2-クロロベンズアルデヒド

2-Chlorobenzaldehyde

HCID 6996CAS 35913-09-8

基本情報

標準SMILES
O=Cc1ccccc1Cl
InChIKey
FPYUJUBAXZAQNL-UHFFFAOYSA-N
分子式
C7H5ClO
平均分子量
140.56 g/mol
単同位体質量
140.0028925

名称と識別子

優先名称
2-Chlorobenzaldehyde
IUPAC
2-chlorobenzaldehyde
現地名
2-クロロベンズアルデヒド
英語名
2-Chlorobenzaldehyde
分子式
C7H5ClO
分子量
140.57

名称と別名

2-Chlorobenzaldehyde89-98-5O-CHLOROBENZALDEHYDEBenzaldehyde, 2-chloro-Benzaldehyde, o-chloro-2-Chlorbenzaldehyd2-Clorobenzaldeideo-ChloorbenzaldehydeUSAF M-72-Chloorbenzaldehydeo-ChlorobenzenecarboxaldehydeDTXSID5024764
名称をさらに表示
2-クロロベンズアルデヒドo-クロロベンズアルデヒド2-クロロベンゼンカルボアルデヒドoクロロベンズアルデヒド2-クロロベンズアルデヒド 塩化物O‐クロロベンズアルデヒドORTHO CHLORO BENZALDEHYDEOCBAOCADo-Chlorobenzaldehyde 2-Chlorobenzaldehydeusafm-7NSC 15347AKOS BBS-00003191
QHR24X1LXKNSC-15347DTXCID204764RefChem:855216201-956-3Chlorobenzaldehyde2-chloro-benzaldehydeMFCD00003304

データベース識別子

CAS
35913-09-8、89-98-5
PubChem CID
6996
DTXSID
DTXSID5024764
ChEMBL
CHEMBL1547989
UNII
QHR24X1LXK
EC Number
201-956-3
Nikkaji
J38.179I

物性

構造計算による物性

XLogP
2.3
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
9

物理化学的性質

融点
9 · 9-11 °C (lit.)
沸点
209 · 209-215 °C (lit.)
比重(密度)
1.248 g/mL · 1.248 g/mL at 25 °C (lit.)
蒸気密度
4.84 · 4.84 (vs air)
蒸気圧
1.27 mm · 1.27 mm Hg ( 50 °C)
屈折率
20 · n20/D 1.566(lit.)
化学的性質 · 1 件

化学的特性2-Chlorobenzaldehyde is a colorless to yellowish liquid with a penetrating odor. Insoluble in water, soluble in benzene, alcohol and ether. 2-Chlorobenzaldehyde is considerably more resistant to oxidation than benzaldehyde. When it is heated with sodium sulfite solution under pressure, benzaldehyde-2-sulfonic acid forms.

安全と法規制

安全データ

F
8-9-23
wgk
1
tsca
TSCA listed
rtecs
CU5075000
ridadr
UN 3265 8/PG 3
毒性
LD50 orally in Rabbit: 2160 mg/kg

化学と産業

応用分野 · 3 件

用途医薬品、染料中間体、金属処理剤

使用2-Chlorobenzaldehyde can be used to make alcohols, acids, and dyes; used in the rubber, tanning, and paper industries; used as an intermediate for optical brighteners, agricultural chemicals, and pharmaceuticals.It can also be used to prepare triphenyl methane and related dyes, organic intermediate.

一般的な説明2-chlorobenzaldehyde is a clear colorless to yellowish liquid. (NTP, 1992)

調製方法 · 2 件

製造方法2-Chlorobenzaldehyde is produced mainly by chlorination of 2-chlorotoluene to form 2-chlorobenzal chloride, which is then subjected to acid hydrolysis. Metal salts, such as iron(III) chloride, are used as catalysts. The hydrolysis can also be accomplished using formic acid without a catalyst.2-Chlorobenzaldehyde can also be produced by oxidation of 2-chlorobenzyl chloride with N-oxides of tertiary amines or with dilute nitric acid.https://pubchem.ncbi.nlm.nih.gov/compound/2-Chlorobenzaldehyde

純化方法Wash it with 10% Na2CO3 solution, then fractionally distil it in the presence of a small amount of catechol as stabiliser. [Beilstein 7 H 233, 7 IV 561.]

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関連反応

505 件

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