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(8E)-N-Hydroxyisoquinoline-8-carboximidoyl chloride structure
(8E)-N-Hydroxyisoquinoline-8-carboximidoyl chloride structure

(8E)-N-Hydroxyisoquinoline-8-carboximidoyl chloride

Iupac Name:2-hydroxypropanoic acid
CAS No.:50-21-5
Molecular Weight:90.078
1. Names and Identifiers
1.1 Name
(8E)-N-Hydroxyisoquinoline-8-carboximidoyl chloride
1.2 Synonyms

1956426-66-6

1.3 CAS No.
50-21-5
1.4 CID
612
1.5 Molecular Formula
C27H37CLFNO7 (isomer)
1.6 Inchi
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
1.7 InChkey
JVTAAEKCZFNVCJ-UHFFFAOYSA-N
1.8 Canonical Smiles
CC(C(=O)O)O
1.9 Isomers Smiles
CC(C(=O)O)O
2. Properties
2.1 Melting Point
18℃
2.2 Vapour
0.08 mmHg
2.3 Refractive Index
Index of refraction = 1.4392 at 20 °C
2.4 Alpha
-0.05 º (c= neat 25 ºC)
3. Safety and Handling
3.1 Risk Statements
R34;R38;R41
3.2 Safety Statements
S26;S36/37/39;S45
3.3 HazardClass
8
3.3 PackingGroup
III
3.4 Transport
UN 1760
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:90.078g/mol
  • Molecular Formula:C27H37CLFNO7
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:90.032
  • Monoisotopic Mass:90.032
  • Complexity:59.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5A^2
  • Heavy Atom Count:6
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICCAAAAgAI AACQCAIAAAAAAAAAAAFAAAABEAAAAAAAQAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Question & Answer
  • Even slightly sour milk has a horrible, nauseating taste, while plain yogurt tastes either great, or at least nowhere near as bad. A dozen sources (all of them) say that the sour odor and taste of sour milk and also of yogurt is caused by the presence of lactic acid. Does sour milk have something e...
  • Lactate is the conjugate base… deprotonated negatively charged carboxylate anion COO-. Lactic acid is protonated form -COOH
  • What are the IUPAC systematic name for β " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" β β -glucose and lactic acid (as in the monomers used in polymerization for PLA)? For lactic acid, I found this: 2-hydroxypropanoic acid Is this correct? For...
  • 25 m L 25 m L of 0.5 % ( w / v ) 0.5 % ( w / v ) lactic acid ( C X 3 H X 6 O X 3 C X 3 H X 6 O X 3 , molecular mass 90.1 g m o l ? 1 90.1 g m o l ? 1 , p K a = 3.86 p K a = 3.86 was neutralised by 13.1 m L 13.1 m L of 0.1010 M 0.1010 M monobasic base. Estimate the end point p H p H and calculate th...
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