2,4-ジクロロ-6-メトキシ-1,3,5-トリアジン

2,4-Dichloro-6-methoxy-3,5-triazine

HCID 19267CAS 3638-04-8

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1nc(Cl)nc(Cl)n1
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
分子式: C4H3Cl2N3O
平均分子量: 179.99 g/mol
単同位体質量: 178.9653171

名称と識別子

優先名称: 2,4-Dichloro-6-methoxy-3,5-triazine
IUPAC: 2,4-dichloro-6-methoxy-1,3,5-triazine
現地名: 2,4-ジクロロ-6-メトキシ-1,3,5-トリアジン
英語名: 2,4-Dichloro-6-methoxy-1,3,5-triazine
分子式: C4H3Cl2N3O
分子量: 179.99

名称と別名

2,4-Dichloro-6-methoxy-1,3,5-triazine3638-04-81,3,5-Triazine, 2,4-dichloro-6-methoxy-2,4-Dichloro-6-methoxy-3,5-triazineWG2YE7S694NSC-50574DTXSID60189906EINECS 222-863-4NSC 50574RefChem:82353DTXCID80112397MFCD00128159

名称をさらに表示

4,6-ジクロロ-2-メトキシ-s-トリアジン2,4-ジクロロ-6-メトキシ-1,3,5-トリアジン2-メトキシ-4,6-ジクロロ-1,3,5-トリアジン2-メトキシ-4,6-ジクロロ-s-トリアジン2,4-ジクロロ-6-メトキシ-s-トリアジンDCMTMETHOXYDICHLOROTRIAZINEDichloromethoxytriazineoro-6-methoxy-1,3,5-triazine4,6-Dichloro-2-methoxy-s-triazine2,4-DICHLORO-6-METHOXY-1,3,5-TRIAZINE, 9 5+%

C4H3Cl2N3O24-Dichloro-6-methoxy-135-triazine2-methoxy-4,6-dichloro-s-triazineNSC505742,6-dichloro-4-methoxy-1,3,5-triazine2-methoxy-4,6-dichloro-1,3,5-triazine2,4-DICHLORO-6-METHOXY-S-TRIAZINEUNII-WG2YE7S694

データベース識別子

CAS: 3638-04-8
PubChem CID: 19267
DTXSID: DTXSID60189906
UNII: WG2YE7S694
EC Number: 222-863-4
Nikkaji: J33.219D

物性

構造計算による物性

XLogP: 2.2
極性表面積: 47.9 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 105

物理化学的性質

融点: 86 · 86-88 °C (lit.)
沸点: 132 · 132-134 °C/49 mmHg (lit.)
比重(密度): 1.538 · 1.538±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): -1.4 · -1.40±0.10(Predicted)
InChI: 1S/C4H3Cl2N3O/c1-10-4-8-2(5)7-3(6)9-4/h1H3
InChIKey: JKAPWXKZLYJQJJ-UHFFFAOYSA-N
SMILES: COc1nc(Cl)nc(Cl)n1
CAS データベース: 3638 · 3638-04-8(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 (97.6%): 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 42 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

安全データ

wgk: 3
ridadr: UN 3335
hs_code: 2933698090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye 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2,4-Dichloro-6-methoxy-1,3,5-triazine was used as reagent in radioimmunoassay for D-Ala2-Dermorphin, a natural peptide extracted from amphibian skin. It was also used in the preparation of:α-cyclodextrin [2]-rotaxanessubstituted s-triazinesseries of chiral derivatizing reagents