1-ニトロ-2,4,6-トリメチルベンゼン

2-Nitromesitylene

HCID 69051
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基本情報

CAS
603-71-4
標準SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1
InChIKey
SCEKDQTVGHRSNS-UHFFFAOYSA-N
分子式
C9H11NO2
平均分子量
165.19 g/mol
単同位体質量
165.07897859

名称と識別子

優先名称
2-Nitromesitylene
IUPAC
1,3,5-trimethyl-2-nitrobenzene
現地名
1-ニトロ-2,4,6-トリメチルベンゼン
英語名
2-NITROMESITYLENE
分子式
C9H11NO2
分子量
165.19

名称と別名

2-Nitromesitylene1,3,5-Trimethyl-2-nitrobenzeneNitromesityleneBenzene, 1,3,5-trimethyl-2-nitro-EINECS 210-054-9AI3-08879DTXSID8060533SCEKDQTVGHRSNS-UHFFFAOYSA-RefChem:88730DTXCID0042791210-054-9InChI=1/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
名称をさらに表示
1-ニトロ-2,4,6-トリメチルベンゼン2-ニトロメシチレン2,4,6-トリメチル-1-ニトロベンゼン1,3,5-トリメチル-2-ニトロベンゼンニトロメシチレンニトロシチレンMesitylene,2-nitro-Nitromesitylene~99%2-Nitro-m-terphenyl2-Nitromesitylene,99%
SCEKDQTVGHRSNS-UHFFFAOYSA-N603-71-4Mesitylene, 2-nitro-Mononitromesitylene2,4,6-Trimethylnitrobenzene2,4,6-Trimethyl-1-nitrobenzene1,3,5-trimethyl-2-nitro-benzeneMFCD00007170

データベース識別子

CAS
603-71-4
PubChem CID
69051
DTXSID
DTXSID8060533
UNII
AKZ2NK5ME7
EC Number
210-054-9
Nikkaji
J38.257D

物性

構造計算による物性

XLogP
2.8
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
12

物理化学的性質

融点
41 · 41-44 °C(lit.)
沸点
255 °C · 255 °C(lit.)
比重(密度)
1.116 · 1.1160 (estimate)
屈折率
1.5278 · 1.5278 (estimate)
闪点
187 °F · 187 °F
貯蔵温度
Store at room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.2%): 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, P317, 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 44 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 CategoriesAcute Tox. 4 (93.2%)；Acute Tox. 4 (93.2%)；Skin Irrit. 2 (95.5%)；Eye Irrit. 2 (97.7%)；Acute Tox. 4 (93.2%)；STOT SE 3 (93.2%)

安全データ

wgk
3
tsca
TSCA listed
ridadr
1325
risk_code
11-20/21/22-36/37/38
hazard_code
F,Xn
safety_code
16-26-36/37/39

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1,3,5-trimethyl-2-nitro-: ACTIVE

応用分野

使用2-Nitromesitylene is a substituted nitrobenzene derivative used in medicine and functional healthy food, pharmaceutical compounds comprising substituted nitrobenzene derivatives for prevention and/or treatment of various diseases.

調製方法

純化方法Crystallise it from EtOH, or a small volume of MeOH and cool in an ice-salt bath (m 43.5o). [Powell & Johnson Org Synth Coll Vol II 449 1943, Beilstein 5 H 410, 5 III 923, 5 IV 1028.]

上流・下流製品情報

サプライヤー40 社

台州小试生物科技有限公司15868607770 · [email protected]
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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