4-シアノピリジン

4-Cyanopyridine

HCID 7506
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基本情報

CAS
100-48-1
標準SMILES
N#Cc1ccncc1
InChIKey
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
分子式
C6H4N2
平均分子量
104.11 g/mol
単同位体質量
104.03744813

概要

4-cyanopyridine is a cyanopyridine carrying the cyano group at position 4.

名称と識別子

優先名称
4-Cyanopyridine
IUPAC
pyridine-4-carbonitrile
現地名
4-シアノピリジン
英語名
4-Cyanopyridine
分子式
C6H4N2
分子量
104.11

名称と別名

4-CYANOPYRIDINEIsonicotinonitrile100-48-14-Pyridinecarbonitrilepyridine-4-carbonitrileIsonicotinic acid nitrileDTXSID9041528NSC-60681BY3226D010DTXCID7021528RefChem:526619202-856-2
名称をさらに表示
4-シアノピリジンピリジン-4-カルボニトリルイソニコチノニトリル4-ピリジンカルボニトリル4シアノピリジン4-シアノピリジン, 98%4-cyanopyridinCyanopyridine,4-AKOS BBS-00004486IsonicotinonitrilTIMTEC-BB SBB008923
4-Pyridinenitrilegamma-Cyanopyridinep-cyanopyridineMFCD00006417.gamma.-CyanopyridineEINECS 202-856-2GPHQHTOMRSGBNZ-UHFFFAOYSA-NSC60681

データベース識別子

CAS
100-48-1
PubChem CID
7506
DTXSID
DTXSID9041528
ChEMBL
CHEMBL504918
ChEBI
CHEBI:28020
UNII
BY3226D010
EC Number
202-856-2
Nikkaji
J39.102F

物性

構造計算による物性

XLogP
0.5
極性表面積
36.7 Ų
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
8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesCoriolis coupling
Vapor Pressure0.31 [mmHg]
Physical Description · 2 件

Other Solid

Off-white crystals with a pungent odor; [Alfa Aesar MSDS]

物理化学的性質

融点
76 · 76-79 °C(lit.)
沸点
196 °C · 196 °C
比重(密度)
1.1145 · 1.1145 (rough estimate)
蒸気圧
41.9 Pa · 41.9Pa at 25℃
屈折率
1.5242 · 1.5242 (estimate)
闪点
88 °C · 88 °C

化学的性質

化学的特性beige solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 4-Pyridinecarbonitrile

4-Pyridinecarbonitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinecarbonitrile are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 03-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23645

4-Pyridinecarbonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See m-Phthalodinitrile. See Pyridine.
Hazard Classes and CategoriesAcute Tox. 4 (94.9%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
3276
hs_code
29333999
risk_code
20/21/22
化審法
(5)-743

化学と産業

用途と製造

U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

4-Pyridinecarbonitrile: ACTIVE

応用分野 · 2 件

用途有機合成原料(医薬、農薬)。

使用4-Cyanopyridine is used as an intermediate in organic synthesis and pharmaceutical substances like isonicotinylhydrazide, which is used in the treatment of tuberculosis. It is used as a precursor for the preparation of isonicotinic acid and 4-diemthylaminopyridine (DMAP). It is involved in the synthesis of 6-methyl-2-pyridin-4-yl-pyrimidin-4-ylamine by reacting with acetonitrile.

上流・下流製品情報

下流製品

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

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