CAS 104-04-1 MFCD00007303-4-Nitroacetanilide 对硝基乙酰苯胺 TAO{mole}

4-Nitroacetanilide 对硝基乙酰苯胺

CAS 104-04-1 MFCD00007303

化学结构图

SMILES: CC(=O)Nc1ccc([N+](=O)[O-])cc1

化学属性

Mol. Formula	C8H8N2O3
Mol. Weight	180.16
Melting Point	213-215 °C
TSCA	Yes
Density	1.340
Appearance	白色棱状结晶。熔点215-216（207℃），沸点100℃（1.06×10-3kPa）。溶于热水、醇、醚，溶于氢氧化钾溶液成橙色，几乎不溶于冷水。
Boiling Point	312.97 °C at 760 mmHg

别名和识别编码

Chemical Name	4-Nitroacetanilide
MDL Number	MFCD00007303
CAS Number	104-04-1
Synonym	N-(4-Nitrophenyl)acetamide {LY} N-(4-Nitrophenyl)acetamide {} {LY} N-(4-Nitrophenyl)acetamide {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Nitrophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number	203-169-0
Merck Number	6581
Beilstein Registry Number	12(3)1594
PubChem Substance ID	87573497
Chemical Name Translation	对硝基乙酰苯胺
Reaxys-RN	2211962
Wiswesser Line Notation	WNR DMV1
LabNetwork Molecule ID	LN00198016
InChI	InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
Canonical SMILES	CC(NC1=CC=C([N+]([O-])=O)C=C1)=O

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安全信息

RTECSAE5075000

Safety Statements

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；
S37 Wear suitable gloves 戴适当手套；
S36 Wear suitable protective clothing 穿戴适当的防护服；

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

GHS Symbol

Precautionary statements

P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P302+P352+P332+P313+P362+P364
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P332+P313
P305+P351+P338+P337+P313
P302+P350
P337+P313

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

WGK Germany3

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Signal word Warning

Hazard Codes Xi

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,10,1953

其他信息

方法一:由乙酰苯胺经硝化制得。将98%的硫酸675kg加入硝化锅内，搅拌，并在20-25℃，2-2.5h内加入99%的乙酰苯胺225kg。待全部溶解后，降温至7℃，在4-7℃约20h内滴加混酸（由63kg水、60kg98%硫酸及107kg96%硝酸配成）。滴加完毕，稀释于4000L冰水中，静置1h。虹吸分离上层废酸，将下层物料过滤，用水洗至中性，即得4-硝基乙酰苯胺。另一种制法是用对硝基苯胺经乙酰化而得。
TCI Shanghai:4'-硝基乙酰苯胺 4'-Nitroacetanilide,>;99.0%(GC)(104-04-1)
图谱信息:对硝基乙酰苯胺(104-04-1)红外图谱(IR2) 对硝基乙酰苯胺(104-04-1)核磁图( 1 HNMR) 对硝基乙酰苯胺(104-04-1)质谱(MS) 对硝基乙酰苯胺(104-04-1)红外图谱(IR1) 对硝基乙酰苯胺(104-04-1)核磁图( 13 CNMR)
用途一:用作药物和染料的中间体。
Acros Organics:4'-Nitroacetanilide, 99%(104-04-1)
Sigma Aldrich:104-04-1(sigmaaldrich)
MOL 文件:104-04-1.mol
Alfa Aesar:4'-硝基乙酰苯胺,98% 4'-Nitroacetanilide, 98%(104-04-1)
下游产品:4-氨基乙酰苯胺 --> N-甲基对硝基苯胺 --> 5-氨基-2-硝基苯甲酸
对硝基乙酰苯胺价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 30130880 4-硝基乙酰苯胺;对硝基乙酰苯胺; N-乙酰对硝基苯胺 100g 507.1元 2011/04/16 N0108 4'-硝基乙酰苯胺 4'-Nitroacetanilide 25G 520元 2011/04/16 N0108 4'-硝基乙酰苯胺 4'-Nitroacetanilide 500G 4180元