1,5-ジクロロ-2,4-ジニトロベンゼン

2,4-ジクロロ-1,5-ジニトロベンゼン · 1,3-ジクロロ-4,6-ジニトロベンゼン · 4,6-ジクロロ-1,3-ジニトロベンゼン · 1,5-ジクロロ-2,4-ジニトロベンゼン · 1,5-ジクロロ-2,4-ジニトロベンゼン, 97% · 1,5-ジクロロo-2,4-ジニトロベンゼン · 1,5-DICHLORO-2,4-DINITROBENZENE · LABOTEST-BB LT00848199

https://huagongshe.com/ja/chemical/77286

識別子と物理属性

CAS No.	3698-83-7
分子式	C6H2Cl2N2O4
平均分子量	236.99 g/mol
単同位体質量	235.9391619 g/mol
SMILES	O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl
InChIKey	ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
PubChem CID	77286
EC No.	223-027-1
DTXSID	DTXSID6022210
現地名	1,5-ジクロロ-2,4-ジニトロベンゼン

化学・物理的性質

XLogP	2.7
極性表面積	91.6
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	14
形式電荷	0
複雑度	227
融点	101-104 °C(lit.)
沸点	337.6±37.0 °C(Predicted)
密度	1.729±0.06 g/cm3(Predicted)
貯蔵条件	Sealed in dry,Room Temperature
溶解度	soluble in Toluene水に不溶。
外観・状態	powder to crystal
色	Light orange to Yellow to Green
BRN	1685438
InChI	1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H
InChIKey	ZPXDNSYFDIHPOJ-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1cc(c(Cl)cc1Cl)[N+]([O-])=O
CAS データベース	3698-83-7(CAS DataBase Reference)
NISTの化学物質情報	1,3-Dichloro-4,6-dinitrobenzene(3698-83-7)
EPAの化学物質情報	Benzene, 1,5-dichloro-2,4-dinitro- (3698-83-7)

安全性と法規制

GHS 分類	WarningH302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (10.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (13%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H400 (97.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410 (13%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.
Hazard Classes and Categories	Acute Tox. 4 (13%)Acute Tox. 4 (10.9%)Skin Irrit. 2 (13%)Eye Irrit. 2A (13%)STOT SE 3 (13%)Aquatic Acute 1 (97.8%)Aquatic Chronic 1 (13%)
水環境危害等級（WGK）	3
TSCA 収載状態	TSCA listed
輸送番号（UN）	UN 3077 9/PG 3
税関コード	29049090
危険文句（R）	50
消防法	危-5-II

用途

使用

1,5-Dichloro-2,4-dinitrobenzene is used as pharmaceutical intermediate.