2,4-ジクロロベンズアルデヒド

2,4-Dichlorobenzaldehyde

HCID 13404CAS 874-42-0

基本情報

標準SMILES
O=Cc1ccc(Cl)cc1Cl
InChIKey
YSFBEAASFUWWHU-UHFFFAOYSA-N
分子式
C7H4Cl2O
平均分子量
175.01 g/mol
単同位体質量
173.96392011

概要

2,4-dichlorobenzaldehyde appears as white crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container. (NTP, 1992)

名称と識別子

優先名称
2,4-Dichlorobenzaldehyde
IUPAC
2,4-dichlorobenzaldehyde
現地名
2,4-ジクロロベンズアルデヒド
英語名
2,4-Dichlorobenzaldehyde
分子式
C7H4Cl2O
分子量
175.01

名称と別名

2,4-DICHLOROBENZALDEHYDE874-42-0Benzaldehyde, 2,4-dichloro-CCRIS 6013DTXSID1022130NSC 8762EINECS 212-861-1UNII-Z08QL2124RAI3-16063Z08QL2124RNSC-8762DTXCID302130
名称をさらに表示
2,4-ジクロロベンズアルデヒド2,4ジクロロベンズアルデヒド2,4‐ジクロロベンズアルデヒドDICHLOROBENZALDEHYDE2,4-DCADAKOS BBS-000031962,4-DichlorobenzaldeMiconazole Impurity 192,4-dichloro-benzaldehyd4-DichlorobenzenaldehydeDICHLOROBENZALDEHYDE(2,4-)2,4-Dichlorobenzenaldehyde
O,P-DICHLOROBENZALDEHYDEDICHLOROBENZALDEHYDE, 2,4-2,4-DICHLOROPHENYLCARBOXALDEHYDERefChem:82375212-861-1InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4YSFBEAASFUWWHU-UHFFFAOYSA-N2,4-dichloro-benzaldehyde

データベース識別子

CAS
874-42-0
PubChem CID
13404
DTXSID
DTXSID1022130
ChEMBL
CHEMBL1531235
UNII
Z08QL2124R
EC Number
212-861-1
Nikkaji
J30.720C

物性

構造計算による物性

XLogP
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
10

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density1.33 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point451 °F at 760 mmHg (NTP, 1992)
Melting Point156 to 163 °F (NTP, 1992)

物理化学的性質

融点
64 · 64-69 °C (lit.)
沸点
233 °C · 233 °C (lit.)
比重(密度)
1.3456 · 1.3456 (rough estimate)
屈折率
1.5756 · 1.5756 (estimate)
闪点
135 °C · 135 °C
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性light yellow to beige crystalline powder, crystals

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 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 Information · 2 件

Chemical: Benzaldehyde, 2,4-dichloro-

2,4-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsThis compound is combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Symptoms of exposure to this chemical are eye, skin and upper respiratory tract irritation. Other symptoms of exposure may include a burning sensation, shortness of breath, headache, laryngitis, nausea and vomiting. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema.

Reactive GroupAldehydes
Reactivity Profile2,4-DICHLOROBENZALDEHYDE is incompatible with iron, oxygen and oxygen-containing materials. It is also incompatible with strong oxidizers and strong bases. (NTP, 1992)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

安全データ

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
毒性
LD50 orally in Rabbit: 3470 mg/kg
hs_code
29130000
risk_code
34-51/53-36/37/38

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 2,4-dichloro-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2,4-Dichlorobenzaldehyde is used in the synthesis of platelet aggregation inhibitors. Also used in the preparation of novel Schiff bases containing quinazolinone rings.

一般的な説明White crystalline solid or off-white chunky solid with black specks and a pungent odor. Average shelf life 1 year in a closed container.

調製方法

純化方法Crystallise the aldehyde from EtOH or ligroin. [Beilstein 7 IV 575.]

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