1,3,5-トリアジン

1,3,5-Triazine

HCID 9262CAS 290-87-9
部分構造検索類似構造を探す

基本情報

標準SMILES
c1ncncn1
InChIKey
JIHQDMXYYFUGFV-UHFFFAOYSA-N
分子式
C3H3N3
平均分子量
81.08 g/mol
単同位体質量
81.03269711

名称と識別子

優先名称
1,3,5-Triazine
IUPAC
1,3,5-triazine
現地名
1,3,5-トリアジン
英語名
1,3,5-Triazine
分子式
C3H3N3
分子量
81.08

名称と別名

1,3,5-TRIAZINEs-TriazineEINECS 206-028-1UNII-8B5F4CM81ENSC 561898B5F4CM81ES-TRIAZINE [MI]NSC-56189s-Triazine-(1,3,5)DTXSID7052785TRIAZINE, 1,3,5-CHEBI:30259
名称をさらに表示
1,3,5-トリアジンs-トリアジンシアニジンsym-トリアジンS-トリアジン STANDARD1,3,5-トリアジン, 97%s-トリアジン Standard, 100 µg/mL in TolueneTRIAZINETRIAZINETriazin(sym.)1,3,5-TriazinTriazinCyanidines-Triazinvedita250
6294-83-3RefChem:72302DTXCID3031361InChI=1/C3H3N3/c1-4-2-6-3-5-1/h1-3JIHQDMXYYFUGFV-UHFFFAOYSA-N290-87-9sym-TriazineVedita 250

データベース識別子

CAS
290-87-9
PubChem CID
9262
DTXSID
DTXSID7052785
ChEMBL
CHEMBL15698
ChEBI
CHEBI:30259
UNII
8B5F4CM81E
EC Number
206-028-1
Nikkaji
J102.028E

物性

構造計算による物性

XLogP
0
極性表面積
38.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
6

実験および物理化学的性質

Kovats Retention Index663；663

物理化学的性質

融点
77 · 77-83 °C (dec.)(lit.)
沸点
114 °C · 114°C
比重(密度)
1 · 1,38 g/cm3
屈折率
1.506 · 1.5060 (estimate)
闪点
114 °C · 114°C
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性White crystal

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H360 (15.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P362+P364, P363, 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

Regulatory Information · 2 件

Chemical: 1,3,5-Triazine

1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Skin Corr. 1B (13%)；Skin Irrit. 2 (87%)；Eye Dam. 1 (89.1%)；STOT SE 3 (87%)；Repr. 1B (15.2%)

法規制情報

Regulatory Information · 2 件

Chemical: 1,3,5-Triazine

1,3,5-Triazine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
rtecs
XY2957000
ridadr
UN2928
hs_code
29339900
risk_code
22-37/38-41-34
hazard_code
Xn,C

化学と産業

応用分野 · 2 件

解説1,3,5-トリアジン．N原子3個とC原子3個からなる複素六員環をいう．次の3種類の異性構造があるが，1,3,5-トリアジンがもっともよく研究されていて，そのほかはあまり重要ではない．1,3,5-トリアジンはホルムアミジン塩酸塩とジホルムアミドナトリウムとの反応で得られる．揮発性固体．融点86 ℃，沸点114 ℃．エタノール，エーテルに可溶．水の上に落とすと，その高い蒸気圧と表面張力によるライデンフロスト現象(Leidenfrost phenomenon)すなわちショウノウ踊り(camphordancing)を呈する．1,2,4-トリアジンは淡黄色の油状物質．融点16～17.5 ℃，沸点156 ℃．n25D1.5149．1,2,3-トリアジンは板状晶．融点69.5～71 ℃．

使用1,3,5-Triazine is a reagent in oxidation reactions, in synthesis of heterocycles. Triazine derivatives are used as herbicides, pharmaceuticals, complexation agents, peptidomimetic building blocks, and dyes.

調製方法 · 1 件

製造方法Symmetrical 1,3,5-triazines are prepared by trimerization of certain nitriles such as cyanogen chloride or cyanimide. Benzoguanamine (with one phenyl and 2 amino substituents) is synthesised from benzonitrile and dicyandiamide. In the Pinner triazine synthesis (named after Adolf Pinner) the reactants are an alkyl or aryl amidine and phosgene. Insertion of an N-H moiety into a hydrazide by a copper carbenoid, followed by treatment with ammonium chloride also gives the triazine core.Amine-substituted triazines called Guanamines are prepared by the condensation of cyanoguanidine with the corresponding nitrile:(H2N)2C=NCN + RCN → (CNH2)2(CR)N3

上流・下流製品情報

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

補足説明

定義1,3,5-Triazine, also known as s-triazine, is a six-membered ring organic compound, which is one of the isomers of triazine.

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