105400-81-5

• 

• Basic information

  1. Product Name: (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID
  2. Synonyms: RARECHEM AK ML 0229;TIMTEC-BB SBB003633;(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID;1,2,3,4-TETRAHYDROISOQUINOLINE-1-ACETIC ACID;2-(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)ACETIC ACID;AKOS BBS-00001341;IFLAB-BB F1921-0016;1,2,3,4-TETRAHYDROISOQUINOLINE-1-ACETIC ACID 98%
  3. CAS NO:105400-81-5
  4. Molecular Formula: C₁₁H₁₃NO₂
  5. Molecular Weight: 191.23
  6. EINECS: N/A
  7. Product Categories: N/A
  8. Mol File: 105400-81-5.mol
  9. Article Data: 6

• Chemical Properties

  1. Melting Point: 248-251 °C
  2. Boiling Point: 326.97°C (rough estimate)
  3. Flash Point: 187.7 °C
  4. Appearance: White/Powder
  5. Density: 1.1258 (rough estimate)
  6. Vapor Pressure: 1.12E-06mmHg at 25°C
  7. Refractive Index: 1.5220 (estimate)
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. PKA: 3.84±0.10(Predicted)
  11. CAS DataBase Reference: (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID(CAS DataBase Reference)
  12. NIST Chemistry Reference: (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID(105400-81-5)
  13. EPA Substance Registry System: (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETIC ACID(105400-81-5)

• Safety Data

  1. Hazard Codes: Xn
  2. Statements: 22
  3. Safety Statements: 24/25
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: IRRITANT
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 105400-81-5(Hazardous Substances Data)

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• SDS
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• Downstream Products
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• (1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetic acid

  Cas No: 105400-81-5

• USD $ 3.0-3.0 / Kilogram

• 1 Kilogram

• 1-100 Metric Ton/Month

• Dayang Chem (Hangzhou) Co.,Ltd.
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• (1,2,3,4-Tetrahydro-isoquinoline-1-yl)acetic acid

  Cas No: 105400-81-5

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• 5

• Hangzhou J&H Chemical Co., Ltd.
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• 105400-81-5

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• Suzhou Health Chemicals Co., Ltd.
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• (1,2,3,4-Tetrahydroisoquinoline-1-yl)acetic acid

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• Hangzhou Dingyan Chem Co., Ltd
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• 2-(Cyclohexylthio)-5-nitrobenzaldehyde

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• Henan Allgreen Chemical Co.,Ltd
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• 2-(1,2,3,4-Tetrahydro-1-isoquinolinyl)acetic acid

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• Antimex Chemical Limied
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• 1,2,3,4-TETRAHYDROISOQUINOLINE-1-ACETIC ACID

  Cas No: 105400-81-5

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• Hangzhou Fandachem Co.,Ltd
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• 2-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetate

  Cas No: 105400-81-5

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• 10 Milligram

• Amadis Chemical Co., Ltd.
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• (1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetic acid CAS NO.105400-81-5

  Cas No: 105400-81-5

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• Jilin haofei import and export trade Co.,Ltd
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• (1,2,3,4-Tetrahydroisoquinoline-1-yl)acetic acid

  Cas No: 105400-81-5

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• ENAO Chemical Co, Limited
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105400-81-5 Usage

Chemical Properties

white powder

Check Digit Verification of cas no

The CAS Registry Mumber 105400-81-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,5,4,0 and 0 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 105400-81:
(8*1)+(7*0)+(6*5)+(5*4)+(4*0)+(3*0)+(2*8)+(1*1)=75
75 % 10 = 5
So 105400-81-5 is a valid CAS Registry Number.

InChI:InChI=1/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m1/s1

105400-81-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid

1.2 Other means of identification

Product number	-
Other names	1,2,3,4-Tetrahydroisoquinoline-1-acetic acid

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:105400-81-5 SDS

105400-81-5Upstream product

• 3230-65-7 3,4-dihydroisoquinoline 
• 141-82-2 malonic acid 
• 91-21-4 1,2,3,4-tetrahydroisoquinoline 

105400-81-5Downstream Products

• 326619-33-4 [2-(toluene-4-sulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid 
• 53921-72-5 1,2,3,8a-tetrahydrocyclopentisoquinolin-7(8H)-one 
• 91640-73-2 (1,2,3,4-tetrahydro-isoquinolin-1-yl)-acetic acid methyl ester 

105400-81-5Relevant articles and documents

Substituted Sulfonamide Compounds

-

Page/Page column 43, (2009/10/17)

Substituted sulfonamide compounds corresponding to the formula I: processes for the preparation thereof, pharmaceutical composition containing these compounds and the use of substituted sulfonamide compounds for the preparation of pharmaceutical compositions.

Quinazoline deriviates for treating peptic ulcer

-

, (2008/06/13)

A quinazoline derivative represented by formula(I) or a pharmaceutically acceptable salt thereof is useful for the treatment of peptic ulcer, wherein: STR1 R1 and R2 are each hydrogen or a C1 -C4 alkyl group; R3 is hydrogen or a halogen; R4, R5, R6, R7, R8 and R9, which may be the same or different, are each hydrogen, a C1 -C4 alkyl group, a cyclopropyl group, or a C1 -C4 alkyl group substituted with a halogen; and R10 is a methoxy group.

The Reaction of 3,4-Dihydroisoquinolines With Malonic Acid and Its Derivatives

Pelletier, Jeffrey C.,Cava, Michael P.

, p. 474 - 477 (2007/10/02)

The reaction of various 3,4-dihydroisoquinolines with malonic acid gives the corresponding 1,2,3,4-tetrahydro-1-isoquinolineacetic acids in good yield, while the reaction with cyanoacetic acid and malonic acid half ethyl ester affords 1,2,3,4-tetrahydro-1

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