6-(Chloromethyl)pyridine-3-carbonitrile

HCID 14980535

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基本情報

CAS: 83640-36-2
標準SMILES: N#Cc1ccc(CCl)nc1
InChIKey: JWMUINMLGIWUHB-UHFFFAOYSA-N
分子式: C7H5ClN2
平均分子量: 152.58 g/mol
単同位体質量: 152.0141259

名称と識別子

優先名称: 6-(Chloromethyl)pyridine-3-carbonitrile
IUPAC: 6-(chloromethyl)pyridine-3-carbonitrile
英語名: 6-ChloroMethyl-nicotinonitrile
分子式: C7H5ClN2
分子量: 152.58

名称と別名

83640-36-26-(CHLOROMETHYL)PYRIDINE-3-CARBONITRILEDTXSID50566444RefChem:306762DTXCID50517219877-376-56-(Chloromethyl)nicotinonitrileMFCD131890856-(CHLOROMETHYL)-3-PYRIDINECARBONITRILE3-Pyridinecarbonitrile, 6-(chloromethyl)-6-chloromethylnicotinonitrileSCHEMBL2645965

名称をさらに表示

6-(Chloromethyl)nicotinnitrile6-ChloroMethyl-nicotinonitrile

SCHEMBL30164016JWMUINMLGIWUHB-UHFFFAOYSA-NAKOS006384890AB67716DS-3624CS-0054354EN300-255397P11633

データベース識別子

CAS: 83640-36-2
PubChem CID: 14980535
DTXSID: DTXSID50566444
EC Number: 877-376-5

物性

構造計算による物性

XLogP: 1
極性表面積: 36.7 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: 10
形式電荷: 0
複雑度: 149

物理化学的性質

沸点: 274.3 · 274.3±30.0 °C(Predicted)
比重(密度): 1.26 · 1.26±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 0.27 · 0.27±0.22(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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. 3 (50%)；Acute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Eye Dam. 1 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)