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4-NITROPHENETOLE structure

4-NITROPHENETOLE
  • CAS：100-29-8
  • MW:167.164
  • MF：C8H9NO3
Dyes and other intermediates.
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1. Names and Identifiers
1.1 Name
4-NITROPHENETOLE
1.2 Synonyms
1-ethoxy-4-nitro-benzen; 1-ETHOXY-4-NITROBENZENE; 1-Ethoxy-4-nitro-benzene; 1-ethyl-4-nitrophenyl ether; 4-Ethoxy-1-nitrobenzene; 4-Ethoxynitrobenzene; 4-Nitroethoxy-benzene; 4-NITROPHENETOL; 4-NITROPHENETOLE; 4-Nitrophenyl ethyl ether; 4-Nitrophenylethylether; Benzene, 1-ethoxy-4-nitro-; EINECS 202-837-9; Ethyl 4-nitrophenyl ether; Ethyl p-nitrophenyl ether; MFCD00007330; NSC 9812; para-nitrophenetol; p-Ethoxynitrobenzene; Phenetole, p-nitro-; p-Nitrobenzene ethyl ether; p-nitroethoxybenzene; p-nitrophenetol; P-NITROPHENETOLE;
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1.3 CAS No.
100-29-8
1.4 CID
7495
1.5 EINECS
202-837-9
1.6 Molecular Formula
C8H9NO3
1.7 Inchi
InChI=1S/C8H9NO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
1.8 InChkey
NWPKEYHUZKMWKJ-UHFFFAOYSA-N
1.9 Canonical Smiles
CCOC1=CC=C(C=C1)[N+](=O)[O-]
1.10 Isomers Smiles
CCOC1=CC=C(C=C1)[N+](=O)[O-]
2. Properties
2.1 Appearance
brown crystalline solid
2.2 Chemical Properties
brown crystalline solid
2.3 Color/Form
PRISMS FROM ALCOHOL, WATER OR ETHER
2.4 Water Solubility

2.5 Spectral Properties
MAX ABSORPTION (HEXANE): 295 NM (LOG E= 4.12); SADTLER REFERENCE NUMBER: 8446 (IR, PRISM); 2240 (UV)
IR: 3931 (Coblentz Society Spectral Collection)
MASS: 1592 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
2.6 Stability
Stable. Incompatible with strong oxidizing agents.
3. Use and Manufacturing
3.1 Description
brown crystalline solid
3.2 GHS Classification
Signal: Warning
GHS Hazard Statements
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
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3.3 Usage
Dyes and other intermediates.
4. Safety and Handling
4.1 Safety
Hazard Codes:Xi
Safety Statements:24/25-22
24/25:Avoid contact with skin and eyes
22:Do not breathe dust
Hazard Note:Irritant
Hazardous Substances Data:100-29-8(Hazardous Substances Data)
4.2 Specification

brown crystalline solid
Safety Statements:24/25-22
24/25:Avoid contact with skin and eyes
22:Do not breathe dust
4.3 Toxicity
ORL-RAT LD50 3300 mg kg-1, SKN-RBT LD50 > 7940 mg kg-1, SKN-RAT LD50 > 16000 mg kg-1
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H332 Harmful if inhaled
Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum
13C NMR : in CDCl3  
13C NMR : Predict  
1H NMR : 400 MHz in CDCl3  
1H NMR : 90 MHz in CDCl3  
1H NMR : Predict  
IR : CCl4 solution  
IR : KBr disc  
IR : nujol mull  
Mass  
Mass spectrum (electron ionization)  
7. Synthesis Route
100-29-8Total: 55 Synthesis Route
 
80-40-0
80-40-0 103 Suppliers
 
100-29-8
100-29-8 13 Suppliers
 
75-03-6
75-03-6 71 Suppliers
 
100-29-8
100-29-8 13 Suppliers
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8. Precursor and Product
precursor:
637-62-7
637-62-7
75-03-6
75-03-6
103-73-1
103-73-1
100-00-5
100-00-5
563-17-7
563-17-7
80-40-0
80-40-0
350-46-9
350-46-9
156-43-4
156-43-4
product:
62-44-2
62-44-2
7244-77-1
7244-77-1
588-52-3
588-52-3
5493-71-0
5493-71-0
6448-82-4
6448-82-4
1145-76-2
1145-76-2
156-43-4
156-43-4
4792-83-0
4792-83-0
2496-26-6
2496-26-6
9. Computed Properties
10. Toltal 10 Suppliers View more
1-Ethoxy-4-nitrobenzene
Hangzhou Tianye chemicals Co., Ltd
 1YR   China
Tel: Update Time:2024/10/22
inquire
Benzene,1-ethoxy-4-nitro- CAS 100-29-8
Hubei Yuancheng Saichuang Technology Co., Ltd
  China
Tel: Update Time:2017/04/25
inquire
1-Ethoxy-4-nitrobenzene
Atomax Chemicals Co.,Ltd
  China
Tel: Update Time:2019/07/29
inquire
Benzene,1-ethoxy-4-nitro-
Zhejiang Haiqiang Chemical Co.,Ltd.
  China
Tel: Update Time:2019/06/12
inquire
4-Nitrophenetole
Struchem Co., Ltd
  China
Tel: Update Time:2010/11/13
inquire
11. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Use and Manufacturing
4. Safety and Handling
5. Msds
6. NMR Spectrum
7. Synthesis Route
8. Precursor and Product
9. Computational chemical data
10. Toltal 10 Suppliers
11. Realated Product Infomation
 
 
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