2-Chloro-6-methylpyridine-3-carbonitrile (HCID 520400)

名称と識別子

優先名称: 2-Chloro-6-methylpyridine-3-carbonitrile
IUPAC: 2-chloro-6-methylpyridine-3-carbonitrile
現地名: ２クロロ６メチル３ピリジンカルボニトリル
英語名: 2-Chloro-6-methyl-3-pyridinecarbonitrile
分子式: C7H5ClN2
分子量: 152.58

名称と別名

2-chloro-6-methylpyridine-3-carbonitrileRefChem:469704628-229-728900-10-92-Chloro-6-methylnicotinonitrile2-Chloro-6-methyl-3-pyridinecarbonitrile2-Chloro-3-cyano-6-methylpyridineMFCD000827673-Pyridinecarbonitrile, 2-chloro-6-methyl-2-Chloro-6-methyl-nicotinonitrileDTXSID60334338CS-M1411

名称をさらに表示

2-クロロ-3-シアノ-6-メチルピリジン２クロロ６メチル３ピリジンカルボニトリル2‐クロロ‐3‐シアノ‐6‐メチルピリジン2-クロロ-6-メチルニコチノニトリル2-クロロ-6-メチル-3-ピリジンカルボニトリルAKOS BBS-00008244BUTTPARK 153\57-09IFLAB-BB F3250-0678TIMTEC-BB SBB0066182-chloro-3-cyano-6-methypyridine2-Chloro-6-methyl-3-cyano-pyridine2-chloro-6-methylnicotinonitrile 99%

TD8102F3250-0678PB12067AC-24537AS-17587BB 0219228VU0607312-12-Chloro-3-cyano-6-picoline

データベース識別子

CAS: 28900-10-9
PubChem CID: 520400
DTXSID: DTXSID60334338
EC Number: 628-229-7
Nikkaji: J1.350.506C

物性

構造計算による物性

XLogP: 1.9
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: 0
重原子数: 10
形式電荷: 0
複雑度: 160

物理化学的性質

融点: 114 · 114-116 °C (lit.)
沸点: 140 · 140-145 °C (lit.)
比重(密度): 1.2763 · 1.2763 (rough estimate)
屈折率: 1.55 · 1.5500 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール
外見: 個体
酸解離定数(Pka): -1.21 · -1.21±0.10(Predicted)
色: ペールイエロー
BRN: 120414 · 120414
InChI: InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
InChIKey: YSBNBAYNISAUIT-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC=C1C#N
CAS データベース: 28900 · 28900-10-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Chloro-3-cyano-6-methylpyridine(28900-10-9)

化学的性質

化学的特性light yellow to brown cryst. flakes or needles

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (10.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (89.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.1%): 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, P305+P354+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 46 reports by companies from 6 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 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (10.9%)；Eye Irrit. 2 (89.1%)；Acute Tox. 4 (89.1%)；STOT SE 3 (100%)

安全データ

wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T
hazard_note: Toxic
safety_code: 26-37/39-36/37/39-22
hazard_class: 6.1
packing_group: III
毒劇物取締法: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用2-Chloro-6-methyl-3-pyridinecarbonitrile, is a building block used for the synthesis of various biologically active compounds. It can be used for the preparation of 2-(Alkoxycarbonyl)-3-Anilinobenzo[b]thiophenes and Thieno[2,3-b]pyridines as new potent anticancer agents.