2,4-Diamino-6-chloropyrimidine (HCID 67432)

名称と識別子

優先名称: 2,4-Diamino-6-chloropyrimidine
IUPAC: 6-chloropyrimidine-2,4-diamine
現地名: 6-クロロ-2,4-ジアミノピリミジン
英語名: 4-Chloro-2,6-diaminopyrimidine
分子式: C4H5ClN4
分子量: 144.56

名称と別名

156-83-24-Chloro-2,6-diaminopyrimidine2,4-Diamino-6-chloropyrimidine2,6-Diamino-4-chloropyrimidine83NU5F7ZASNSC-8818DTXSID30166022NSC 8818Pyrimidine, 6-chloro-2,4-diamino-RefChem:82261DTXCID8088513205-863-9

名称をさらに表示

6-クロロ-2,4-ジアミノピリミジン6-クロロピリミジン-2,4-ジアミン4-クロロ-2,6-ピリミジンジアミン4-クロロピリミジン-2,6-ジアミン6-クロロ-2,4-ピリミジンジアミン2,4-ジアミノ-6-クロロピリミジン4-クロロ-2,6-ジアミノピリミジン塩化物4-クロロ-2,6-ジアミノピリミジン4-クロロ-2,6-ジアミノピリミジン標準原液2,6-ジアミノ-4-クロロピリミジンJACS-156-83-2TIMTEC-BB SBB0041234-Chloro-2,6-diaminoDiaMino-6-chloropyriMidMinoxidil EP Impurity 3oro-2,6-diaminopyrimidine

QJIUMVUZDYPQRT-UHFFFAOYSA-N6-Chloropyrimidine-2,4-diamine6-Chloro-pyrimidine-2,4-diamineMinoxidil EP Impurity B6-Chloro-2,4-diaminopyrimidine2,4-Pyrimidinediamine, 6-chloro-Minoxidil impurity 2MFCD00006097

データベース識別子

CAS: 156-83-2
PubChem CID: 67432
DTXSID: DTXSID30166022
ChEMBL: CHEMBL4517551
ChEBI: CHEBI:137231
UNII: 83NU5F7ZAS
EC Number: 205-863-9
Nikkaji: J106.036H

物性

構造計算による物性

XLogP: 0.5
極性表面積: 77.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 98

物理化学的性質

融点: 199 · 199-202 °C(lit.)
沸点: 199 · 199-202 °C
比重(密度): 1.3966 · 1.3966 (rough estimate)
蒸気圧: 0 · 0.0±1.1 mmHg at 25°C
屈折率: 1.702 · 1.702
闪点: 218.9 · 218.9±29.6 °C
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: わずかに溶ける
酸解離定数(Pka): 3.66 · 3.66±0.10(Predicted)
外見: 個体
色: 白色～淡黄色
水溶解度: わずかに溶ける
BRN: 118455 · 118455
InChI: InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKey: QJIUMVUZDYPQRT-UHFFFAOYSA-N
SMILES: C1(N)=NC(Cl)=CC(N)=N1
CAS データベース: 156 · 156-83-2(CAS DataBase Reference)
NISTの化学物質情報: 6 · Pyrimidine, 6-chloro-2,4-diamino-(156-83-2)

化学的性質

化学的特性White Cyrstalline Solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.

Warning

H302 (85%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85%): 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, 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 60 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 60 reports by companies.；There are 14 notifications provided by 59 of 60 reports by companies with hazard statement code(s).；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

Status: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17265

2,4-Diamino-6-chloropyrimidine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (85%)；Skin Irrit. 2 (86.7%)；Eye Irrit. 2 (86.7%)；STOT SE 3 (85%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17265

2,4-Diamino-6-chloropyrimidine: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
hs_code: 29335995
risk_code: 22-36/37/38
化審法: (5)-5972
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-24/25
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

用途有機合成原料。

使用Melamine and Related Compounds in Dog Food Using GC-MS

調製方法

純化方法It recrystallises from boiling H2O (charcoal) as needles; it also crystallises from Me2CO. [Büttner Chem Ber 36 2232 1903, Roth J Am Chem Soc 72 1914 1950, UV: Brown & Jacobsen J Chem Soc 3172 1962, Beilstein 24 H 318, 25 III/IV 2788.]