CAS 99-77-4 MFCD00007351-Ethyl p-nitrobenzoate 对硝基苯甲酸乙酯 -LabNovo

Ethyl p-nitrobenzoate 对硝基苯甲酸乙酯

CAS 99-77-4 MFCD00007351

化学结构图

SMILES: CCOC(=O)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. Formula	C9H9NO4
Mol. Weight	195.17
Density	1.253
Melting Point	56-59°C
TSCA	Yes
Boiling Point	315°C at 760 mmHg
Flash Point	148.2°C
Appearance	无色或浅黄色针状结晶。熔点57℃，沸点186.3℃。易溶于乙醇和乙醚，不溶于水。浅黄色液体。凝固点-32℃，沸点245-246℃，134-136℃（3.07kPa），相对密度1.1192（20/4℃），折光率1.5455。易溶于乙醇、乙醚，溶于丙酮、苯，不溶于水。
Refractive index	1.5445-1.5465

别名和识别编码

Chemical Name	Ethyl p-nitrobenzoate
CAS Number	99-77-4
EC Number	202-786-2
Beilstein Registry Number	1912879
MDL Number	MFCD00007351
Synonym	Ethyl 4-nitrobenzoate {LY} Ethyl 4-nitrobenzoate {} {LY} Ethyl 4-nitrobenzoate {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {}
Merck Number	14,3832
PubChem Substance ID	7457
Reaxys-RN	1912879
Chemical Name Translation	对硝基苯甲酸乙酯
Wiswesser Line Notation	WNR DVO2
LabNetwork Molecule ID	LN00225468
InChI	InChI=1S/C9H9NO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3
Canonical SMILES	O=C(OCC)C1=CC=C([N+]([O-])=O)C=C1

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安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R52 Harmful to aquatic organisms 对水生生物有害
R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
R33 Danger of cumulative effects 有累积作用的危险

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

RTECSDH5600000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

Hazard Codes T,Xi

UN Number 2810

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

TCI Shanghai:4-乙基硝基苯 4-Ethylnitrobenzene,>;99.0%(GC)(100-12-9)
用途一:用于有机合成
TCI Shanghai:4-硝基苯甲酸乙酯 Ethyl 4-Nitrobenzoate,>;98.0%(GC)(99-77-4)
对硝基苯甲酸乙酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 N0485 4-硝基苯甲酸乙酯 Ethyl 4-Nitrobenzoate 25G 331元 2010/06/21 168425000 对硝基苯甲酸乙酯 Ethyl 4-nitrobenzoate 99% 500 GR 3002元 2010/06/21 168421000 对硝基苯甲酸乙酯 Ethyl 4-nitrobenzoate 99% 100 GR 760元
Alfa Aesar:4-硝基苯甲酸乙酯,98% Ethyl 4-nitrobenzoate, 98%(99-77-4)
对乙基硝基苯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 E0154 4-乙基硝基苯 4-Ethylnitrobenzene 500G 1340元 2014/06/02 E0154 4-乙基硝基苯 4-Ethylnitrobenzene 25G 278元
用途一:用作医药中间体
图谱信息:对硝基苯甲酸乙酯(99-77-4)红外图谱(IR2) 对硝基苯甲酸乙酯(99-77-4)质谱(MS) 对硝基苯甲酸乙酯(99-77-4)核磁图( 1 HNMR) 对硝基苯甲酸乙酯(99-77-4)红外图谱(IR1) 对硝基苯甲酸乙酯(99-77-4)Raman光谱对硝基苯甲酸乙酯(99-77-4)核磁图( 13 CNMR)
Sigma Aldrich:99-77-4(sigmaaldrich)
上游原料:对硝基苯甲酸
MOL 文件:100-12-9.mol
方法一:由对硝基苯甲酸与乙醇酯化而得。
方法一:由乙苯硝化而得。
图谱信息:对乙基硝基苯(100-12-9)红外图谱(IR1) 对乙基硝基苯(100-12-9)核磁图( 13 CNMR) 对乙基硝基苯(100-12-9)质谱(MS)
下游产品:苯唑卡因
用途二:用作有机合成中间体。在医药工业，用于生产局部麻醉药苯佐卡因、丁卡因盐酸盐以及镇咳药退嗽等。
MOL 文件:99-77-4.mol
Sigma Aldrich:100-12-9(sigmaaldrich)
Acros Organics:对硝基苯甲酸乙酯 Ethyl 4-nitrobenzoate, 99%(99-77-4)
Acros Organics:对乙基硝基苯 4-Ethylnitrobenzene, 99+%(100-12-9)
用途二:主要用于生产氯霉素的中间体对硝基苯乙酮，也用于其他有机合成。