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Home> Hot Product Listed X   > Xylitol, pentaacetate(6CI,7CI,8CI,9CI)
605-65-2 structure

Xylitol, pentaacetate(6CI,7CI,8CI,9CI)

Iupac Name:5-(dimethylamino)naphthalene-1-sulfonyl chloride
CAS No.:605-65-2
Molecular Weight:269.743
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
InChkey
XPDXVDYUQZHFPV-UHFFFAOYSA-N
Canonical Smiles
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl
Properties
Melting Point
70-73℃
Refractive Index
1.636
Flash Point
°C
HS Code
29214980
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 3261
Specification

N-Hydroxyethyl-3,4-methylenedioxyaniline hydrochloride , with the CAS register numer 81329-90-0, has the molecular formula C9H11NO3.HCl. Its systematic name is ethanol, 1-(1,3-benzodioxol-5-ylamino)-, hydrochloride (1:1) and it is also called as 1-(1,3-Benzodioxol-5-ylamino)ethanol hydrochloride (1:1) .

This kind of chemical is usually used in the hair dyes and it is also being used in the raw material in hair color. If you need more information, you could refer to CAS data base: 81329-90-0(CAS DataBase Reference).

You could get the molecuar structure by converting the following data information:
SMILES: CC(Nc1ccc2c(c1)OCO2)O.Cl
InChI: InChI=1/C9H11NO3.ClH/c1-6(11)10-7-2-3-8-9(4-7)13-5-12-8;/h2-4,6,10-11H,5H2,1H3;1H
InChIKey: NIIMNLLQPAGJBK-UHFFFAOYAW Std.
InChI: InChI=1S/C9H11NO3.ClH/c1-6(11)10-7-2-3-8-9(4-7)13-5-12-8;/h2-4,6,10-11H,5H2,1H3;1H  Std.
InChIKey: NIIMNLLQPAGJBK-UHFFFAOYSA-N

As for the market condition of this kind of chemical, it has many suppliers in China, such as  Hangzhou Haichem Co., Ltd.
 

Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:269.743g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.5
  • Exact Mass:269.028
  • Monoisotopic Mass:269.028
  • Complexity:363
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:45.8A^2
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMABEAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHAQAAAAADAiBWAQywcMAAAKA AiRCQHDCAAAhAgAIiBgIZIgIICLAkZGEIAhggABIyAcQgIAOgAAAwAAWAAAAAAGAACwAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-83214668
  • Fax:86-27-83214668
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