114772-19-9

• 

• Basic information

  1. Product Name: 4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE
  2. Synonyms: (2-mercapto-1-(4-nitrobenzyl)-1H-imidazol-5-yl)methanol;REF DUPL: 4-Hydroxymethyl-3-(4-nitro-benzyl)-2-mercapto-3H-imidazole;2H-Imidazole-2-thione, 1,3-dihydro-5-(hydroxymethyl)-1-[(4-nitrophenyl)methyl]-
  3. CAS NO:114772-19-9
  4. Molecular Formula: C₁₁H₁₁N₃O₃S
  5. Molecular Weight: 265.29
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 114772-19-9.mol
  9. Article Data: 7

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 479.4°Cat760mmHg
  3. Flash Point: 243.8°C
  4. Appearance: /
  5. Density: 1.51g/cm³
  6. Vapor Pressure: 0mmHg at 25°C
  7. Refractive Index: 1.727
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: 11.49±0.70(Predicted)
  11. CAS DataBase Reference: 4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE(CAS DataBase Reference)
  12. NIST Chemistry Reference: 4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE(114772-19-9)
  13. EPA Substance Registry System: 4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE(114772-19-9)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 114772-19-9(Hazardous Substances Data)

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• 4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE

  Cas No: 114772-19-9

• USD $ 3.0-3.0 / Kilogram

• 1 Kilogram

• 1-100 Metric Ton/Month

• Dayang Chem (Hangzhou) Co.,Ltd.
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• Ethyl beta-oxo-3-furanpropionate, 97%

  Cas No: 114772-19-9

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• No Data

• Henan Allgreen Chemical Co.,Ltd
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• 4-Hydroxymethyl-3-(4-nitro-benzyl)-2-mercapto-3H-imidazole

  Cas No: 114772-19-9

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• 4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE

  Cas No: 114772-19-9

• No Data

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• Hangzhou Fandachem Co.,Ltd
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• 4-(hydroxymethyl)-3-[(4-nitrophenyl)methyl]-1H-imidazole-2-thione

  Cas No: 114772-19-9

• No Data

• 10 Milligram

• Amadis Chemical Co., Ltd.
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114772-19-9 Usage

General Description

4-HYDROXYMETHYL-3-(4-NITRO-BENZYL)-2-MERCAPTO-3H-IMIDAZOLE is a chemical compound with potential pharmaceutical applications. It is a derivative of imidazole, containing a hydroxymethyl group, a nitro-benzyl group, and a mercapto group. Imidazoles have a wide range of biological activities, including antimicrobial, antifungal, and antiparasitic properties. The addition of the hydroxymethyl and nitro-benzyl groups to the imidazole core may enhance its activity or modify its pharmacokinetic properties. Further research is needed to determine the potential therapeutic uses of this compound.

Check Digit Verification of cas no

The CAS Registry Mumber 114772-19-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,7,7 and 2 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 114772-19:
(8*1)+(7*1)+(6*4)+(5*7)+(4*7)+(3*2)+(2*1)+(1*9)=119
119 % 10 = 9
So 114772-19-9 is a valid CAS Registry Number.

InChI:InChI=1/C11H11N3O3S/c15-7-10-5-12-11(18)13(10)6-8-1-3-9(4-2-8)14(16)17/h1-5,15H,6-7H2,(H,12,18)

114772-19-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name	4-(hydroxymethyl)-3-[(4-nitrophenyl)methyl]-1H-imidazole-2-thione

1.2 Other means of identification

Product number	-
Other names	KHWHBHFUZBUCJW-UHFFFAOYSA

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114772-19-9 SDS

114772-19-9Upstream product

• 62147-49-3 dihydroxyacetone-dimer 
• 18600-42-5 4-nitrobenzylamine hydrochloride 
• 62147-49-3 1,3-dihydroxyacetone dimer 
• 7409-30-5 p-nitrobenzylamine 
• 333-20-0 potassium thioacyanate 
• 96-26-4 dihydroxyacetone 

114772-19-9Downstream Products

• 125665-53-4 N-[4-(5-Hydroxymethyl-imidazol-1-ylmethyl)-phenyl]-phthalamic acid 
• 309254-14-6 1-[(4-aminophenyl)methyl]-5-hydroxymethyl-2-propylthioimidazole 
• 309254-13-5 1-[(4-aminophenyl)methyl]-2-ethylthio-5-hydroxymethylimidazole 
• 114772-21-3 1-[(4-aminophenyl)methyl]-5-hydroxymethyl-2-methylthioimidazole 
• 496925-70-3 5-formyl-2-methylthio-1-(4-nitrobenzyl) imidazole 
• 85103-02-2 1-(4-nitrobenzyl)-1H-imidazole-5-carbaldehyde 

114772-19-9Relevant articles and documents

Synthesis and calcium channel blocker activity of alkyl 1,4-dihydro-2,6-dimethyl-4-nitrobenzyl thioimidazolyl-3,5-pyridinedicarboxylates

Zarghi,Faizi,Abdolahnejad,Fassihi

, p. 175 - 179 (2007/10/03)

New alkyl ester analogues of nifedipine, in which the orthonitrophenyl group of position 4 is replaced by 1-methyl 2-(p-nitrobenzyl)thio-5-imidazolyl substituent, were synthesized and evaluated as calcium-channel antagonists using the high K+ contraction of guinea-pig ileal longitudinal smooth muscle. The results for the symmetrical esters showed that increasing the length of methylen chain in C3 and C5 ester substituents decreased activity. When the presence of bulky lipophilic esters increased activity. In ztnsymmetrical diester series, the results showed when R1 is a small substituent (R1=Me), increasing of the lipophilic property in R2 substituent increased the activity if this high lipophilicity don't accompany with steric hinderance. Our results demonstrate that the most active compound was diphenyl ester derivative and it was almost seven times more active than the reference drug nifedipine.

Synthesis and calcium antagonist activity of new 1,4-dihydropyridines containing nitrobenzylimidazolyl substituent in ginea-pig ileal smooth muscle

Zarghi,Derakhshandeh,Roshanzamir,Jorjani,Rastegar,Varmazyari,Shafiee

, p. 15 - 20 (2007/10/03)

New alkyl ester analogues of nifedipine, in which the ortho-nitrophenyl group of position 4 is replaced by 1-(4-nitrobenzyl)-5-imidazolyl or 2-methylthio-1-(4-nitrobenzyl)-5-imidazolyl substituent, were synthesized and evaluated as calcium-channel antagonists using the electrically induced contraction of guinea-pig ileal longitudinal smooth muscle. Our results demonstrate that all compounds inhibited the contractile response of guinea-pig ileum to electrical stimulation and the IC50 value of the most potent compounds 6a and 6f were significantly lower than that of nifedipine. Therefore, they are more potent than nifedipine.

ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES

-

, (2008/06/13)

Substituted imidazoles such as STR1 are useful as angiotensin II blockers. These compounds have activity in treating hypertension and congestive heart failure.

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