2,6-ジクロロベンズアルデヒド

2,6-Dichlorobenzaldehyde

HCID 6737CAS 83-38-5

基本情報

標準SMILES
O=Cc1c(Cl)cccc1Cl
InChIKey
DMIYKWPEFRFTPY-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

Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)

名称と識別子

優先名称
2,6-Dichlorobenzaldehyde
IUPAC
2,6-dichlorobenzaldehyde
現地名
2,6-ジクロロベンズアルデヒド
英語名
2,6-Dichlorobenzaldehyde
分子式
C7H4Cl2O
分子量
175.01

名称と別名

2,6-DICHLOROBENZALDEHYDE83-38-5Benzaldehyde, 2,6-dichloro-MFCD000033072,6-dichloro benzaldehydeDTXSID50249702,6-dichloro-benzaldehydeNSC-7193781ADM5611o,o'-Dichlorobenzaldehyde; NSC 7193;CCRIS 6014NSC 7193
名称をさらに表示
2,6-ジクロロベンズアルデヒド2,6ジクロロベンズアルデヒド2,6-ジクロロベンズアルデヒド 塩化物2,6ジクロルベンズアルデヒド2,6‐ジクロロベンズアルデヒドAURORA 14017AKOS BBS-000031702,6-DichlorobenzaldeLABOTEST-BB LT014609026-Dichlorobenzaldehyde2,6-Dichloobenzaldehyde2,6-Dichlor-Benzaldehyd2,6-dichloro-benzaldehyd
EINECS 201-472-2UNII-781ADM5611NSC71932,6dichloro-benzaldehydeBenzaldehyde,6-dichloro-2,6-dichloro -benzaldehydeSCHEMBL96213SCHEMBL96214

データベース識別子

CAS
83-38-5
PubChem CID
6737
DTXSID
DTXSID5024970
ChEMBL
CHEMBL1442731
UNII
781ADM5611
EC Number
201-472-2
Nikkaji
J60.295G

物性

構造計算による物性

XLogP
2.6
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

Chemical ClassesOther Classes -> Benzaldehydes
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Point275 °F (NTP, 1992)
Boiling Point329 °F at 760 mmHg (NTP, 1992)
Melting Point158 to 160 °F (NTP, 1992)
Physical Description · 2 件

Yellowish flakes or fine off-white powder. Pungent odor. (NTP, 1992)

Yellowish or off-white solid with a pungent odor; [CAMEO] Off-white hygroscopic powder; [Alfa Aesar MSDS]

物理化学的性質

融点
69 · 69-71 °C (lit.)
沸点
165 °C · 165°C
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
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性white to light yellow powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (94.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzaldehyde, 2,6-dichloro-

Status: Active Update: 15-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/33354

2,6-Dichlorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

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

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

Hazards SummarySensitive to air, moisture, and light; Causes burns; Inhalation may cause chemical pneumonitis and pulmonary edema; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactive GroupAldehydes

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.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk
2
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29130000
risk_code
34-36/37/38
化審法
(3)-1189

化学と産業

用途と製造

UsesUsed to make pharmaceuticals, dyes, and other organic chemicals; [NTP]
General Manufacturing InformationBenzaldehyde, 2,6-dichloro-: ACTIVE

応用分野

用途トリフェニルメタン系媒染染料の中間体。

一般的な説明Yellowish flakes or fine off-white powder. Pungent odor.

調製方法

純化方法Crystallise the aldehyde from EtOH/H2O or pet ether (b 30-60o). [Beilstein 7 IV 576.]

サプライヤー50 社

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関連反応

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