2,4-ジクロロ-6-フェニル-1,3,5-トリアジン

2,4-Dichloro-6-phenyl-1,3,5-triazine

HCID 15549CAS 1700-02-3

部分構造検索類似構造を探す

基本情報

標準SMILES: Clc1nc(Cl)nc(-c2ccccc2)n1
InChIKey: AMEVJOWOWQPPJQ-UHFFFAOYSA-N
分子式: C9H5Cl2N3
平均分子量: 226.06 g/mol
単同位体質量: 224.9860526

名称と識別子

優先名称: 2,4-Dichloro-6-phenyl-1,3,5-triazine
IUPAC: 2,4-dichloro-6-phenyl-1,3,5-triazine
現地名: 2,4-ジクロロ-6-フェニル-1,3,5-トリアジン
英語名: 2,4-Dichloro-6-phenyl-1,3,5-triazine
分子式: C9H5Cl2N3
分子量: 226.06

名称と別名

2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-32,4-DICHLORO-6-PHENYL-S-TRIAZINEUNII-N15020UDY0NSC-51871N15020UDY06-phenyl-2,4-dichloro-s-triazineEINECS 216-928-6NSC 51871S-TRIAZINE, 2,4-DICHLORO-6-PHENYL-DTXSID50168780RefChem:82367

名称をさらに表示

2,4-ジクロロ-6-フェニル-1,3,5-トリアジン2,6-ジクロロ-4-フェニル-1,3,5-トリアジン2,4-ジクロロ-6-フェニル-s-トリアジンPTRZ-2Cl4-Dichloro-6-phenyl-1LABOTEST-BB LT000444222-Phenyl-4,6-dichlorotriazine4,6-DICHLORO-2-PHENYL TRIAZINEDichloro-6-phenyl-1,3,5-triazine2,4-Dichloro-6-phenyl1,3,5-tria6-PHENYL-1,3,5-TRIAZINE-2,4-DICHLORO

DTXCID0091271AMEVJOWOWQPPJQ-UHFFFAOYSA-NMFCD000473401,3,5-Triazine, 2,4-dichloro-6-phenyl-2,4-Dichloro-6-phenyl-[1,3,5]triazineNSC518712,4-Dichloro-Phenyl-1,3,5-Triazine1,5-Triazine, 2,4-dichloro-6-phenyl-

データベース識別子

CAS: 1700-02-3
PubChem CID: 15549
DTXSID: DTXSID50168780
UNII: N15020UDY0
EC Number: 216-928-6
Nikkaji: J203.086A

物性

構造計算による物性

XLogP: 4
極性表面積: 38.7 Å²
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: 1
重原子数: 14
形式電荷: 0
複雑度: 175

物理化学的性質

融点: 119 to · gt. 119.0 to 123.0 °C
沸点: 136 °C/1mmHg · 136°C/1mmHg(lit.)
比重(密度): 1.428 · 1.428±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): -1.67 · -1.67±0.10(Predicted)
色: White to Orange to Green
InChI: InChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H
InChIKey: AMEVJOWOWQPPJQ-UHFFFAOYSA-N
SMILES: N1=C(C2=CC=CC=C2)N=C(Cl)N=C1Cl
CAS データベース: 1700 · 1700-02-3(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 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.