1,3-Dichloro-4,6-dinitrobenzene (HCID 77286)

名称と識別子

優先名称: 1,3-Dichloro-4,6-dinitrobenzene
IUPAC: 1,5-dichloro-2,4-dinitrobenzene
現地名: 1,5-ジクロロ-2,4-ジニトロベンゼン
英語名: 1,3-Dichloro-4,6-dinitrobenzene
分子式: C6H2Cl2N2O4
分子量: 237

名称と別名

1,5-Dichloro-2,4-dinitrobenzene1,3-Dichloro-4,6-dinitrobenzene3698-83-7Benzene, 1,5-dichloro-2,4-dinitro-2,4-Dichloro-1,5-dinitrobenzene4,6-Dichloro-1,3-dinitrobenzeneUNII-6ENC7C8ZR0EINECS 223-027-16ENC7C8ZR0NSC 28971AI3-28912NSC-28971

名称をさらに表示

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LABOTEST-BB LT00848199Chlorzoxazone Impurity 331,5-dinitro-2,4-dichlorobenzene1,5-dichloro-2,4-dinitro-benzen1,5-Dichloro-2,4-dinitrobenzene>Benzene, 1,5-dichloro-2,4-dinitro-

DTXSID6022210Benzene, 1,3-dichloro-4,6-dinitro-2,6-DICHLORO-3,5-DINITROBENZENE4,6-DINITRO-1,3-DICHLOROBENZENERefChem:72622DTXCID902210ZPXDNSYFDIHPOJ-UHFFFAOYSA-N1,3,-Dichloro-4,6-dinitrobenzene

データベース識別子

CAS: 3698-83-7
PubChem CID: 77286
DTXSID: DTXSID6022210
UNII: 6ENC7C8ZR0
EC Number: 223-027-1
Nikkaji: J205.612G

物性

構造計算による物性

XLogP: 2.7
極性表面積: 91.6 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: 0
重原子数: 14
形式電荷: 0
複雑度: 227

物理化学的性質

融点: 101 · 101-104 °C(lit.)
沸点: 337.6 · 337.6±37.0 °C(Predicted)
比重(密度): 1.729 · 1.729±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: soluble in Toluene
外見: powder to crystal
色: Light orange to Yellow to Green
水溶解度: 水に不溶。
BRN: 1685438 · 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 · 3698-83-7(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,3-Dichloro-4,6-dinitrobenzene(3698-83-7)
EPAの化学物質情報: 1 · Benzene, 1,5-dichloro-2,4-dinitro- (3698-83-7)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (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 exposure; Respiratory 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (13%)；Acute Tox. 4 (10.9%)；Skin Irrit. 2 (13%)；Eye Irrit. 2A (13%)；Acute Tox. 4 (13%)；STOT SE 3 (13%)；Aquatic Acute 1 (97.8%)；Aquatic Chronic 1 (13%)