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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 117
実験および物理化学的性質
Physical Description
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
- 溶解性
- 1 g/l · <1g/l 不溶
- 外見
- 結晶性粉末
- 色
- ホワイトからライトベージュ
- 水溶解度
- 0.1 g/100 · <0.1 g/100 mL で 23 ºC
- BRN
- 386477 · 386477
- 安定性
- 安定。強酸化剤、強塩基とは相容れない。空気、光、湿気に敏感。
- InChI
- 1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChIKey
- DMIYKWPEFRFTPY-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1c(Cl)cccc1Cl
- CAS データベース
- 83 · 83-38-5(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Benzaldehyde, 2,6-dichloro-(83-38-5)
- EPAの化学物質情報
- 2 · Benzaldehyde, 2,6-dichloro- (83-38-5)
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
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
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
Health Hazards
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.
安全と保護具
First Aid
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
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.
毒性情報
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
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-27-28-36/37/39-45-37/39
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
用途と製造
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.]
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