2-メチル-4,6-ジクロロ-5-ニトロピリミジン

2-メチル-4,6-ジクロロ-5-ニトロピリミジン · 4,6-ジクロロ-2-メチル-5-ニトロピリミジン · Einecs 236-105-5 · 2-Methyl-4,6-dichloro-5-nitropyrimidine · 4,6-Dichloro-2-methyl-5-nitropyrimidine · 2-Methyl-5-nitro-4,6-dichloro-pyriMidine · Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- · 4,6-Dichloro-2-methyl-5-nitropyrimidine ISO 9001：2015 REACH

https://huagongshe.com/ja/chemical/83192

識別子と物理属性

CAS No.	13162-43-1
分子式	C5H3Cl2N3O2
平均分子量	208 g/mol
単同位体質量	206.9602317 g/mol
SMILES	Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1
InChIKey	OPXGPTXSLFZVCA-UHFFFAOYSA-N
PubChem CID	83192
EC No.	236-105-5
DTXSID	DTXSID4065367
現地名	2-メチル-4,6-ジクロロ-5-ニトロピリミジン

化学・物理的性質

XLogP	2.4
極性表面積	71.6
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	0
重原子数	12
形式電荷	0
複雑度	174
沸点	310.4±37.0 °C(Predicted)
密度	1.626±0.06 g/cm3(Predicted)
貯蔵条件	under inert gas (nitrogen or Argon) at 2-8°C
pKa（酸解離定数）	-7.02±0.39(Predicted)
InChI	InChI=1S/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
InChIKey	OPXGPTXSLFZVCA-UHFFFAOYSA-N
SMILES	C1(C)=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1
EPAの化学物質情報	Pyrimidine, 4,6-dichloro-2-methyl-5-nitro- (13162-43-1)

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
TSCA 収載状態	TSCA listed