3-Chloro-2-formylpyridine

HCID 10749280

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基本情報

CAS: 206181-90-0
標準SMILES: O=Cc1ncccc1Cl
InChIKey: QXNVCYJXFQPEKQ-UHFFFAOYSA-N
分子式: C6H4ClNO
平均分子量: 141.55 g/mol
単同位体質量: 140.9981414

名称と識別子

優先名称: 3-Chloro-2-formylpyridine
IUPAC: 3-chloropyridine-2-carbaldehyde
英語名: 3-Chloropyridine-2-carboxaldehyde
分子式: C6H4ClNO
分子量: 141.56

名称と別名

3-CHLORO-2-FORMYLPYRIDINERefChem:499766800-093-5206181-90-03-Chloropyridine-2-carboxaldehyde3-chloropyridine-2-carbaldehyde3-chloropicolinaldehyde2-Pyridinecarboxaldehyde, 3-chloro-MFCD099918553-chloro-2-pyridinecarbaldehyde2-Pyridinecarboxaldehyde,3-chloro-SCHEMBL1134027

名称をさらに表示

Lazabemide Impurity 13-chloropyridine-4-carbaldehyde3-chloro-2-Pyridinecarboxaldehyde3-Chloropyridine-2-ccarboxaldehyde

3-chloro-pyridine-2-carboxaldehydeCS-W005646SY0081813-chloro-2-pyridinecFT-0649979SCHEMBL970873SCHEMBL29935498DTXSID30444251

データベース識別子

CAS: 206181-90-0
PubChem CID: 10749280
DTXSID: DTXSID30444251
EC Number: 800-093-5
Nikkaji: J2.333.434H

物性

構造計算による物性

XLogP: 1.3
極性表面積: 30 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 107

物理化学的性質

沸点: 202 ℃ · 202℃
比重(密度): 1.332 · 1.332
闪点: 76 ℃ · 76℃
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 1.12 · 1.12±0.10(Predicted)
外見: solid
色: White to off-white

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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 CategoriesAcute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)