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Home> Encyclopedia > Hot Product Listed 6   > 6-Tridecanol,3,9-diethyl-, 6-(hydrogen sulfate), sodium salt (1:1)
17422-32-1 structure

6-Tridecanol,3,9-diethyl-, 6-(hydrogen sulfate), sodium salt (1:1)

Iupac Name:5-chloro-1H-indole
CAS No.:17422-32-1
Molecular Weight:151.593
Molecular Formula:C9H8N4O2 (isomer)
Names and Identifiers
Synonyms

6-Tridecanol,3,9-diethyl-, hydrogen sulfate, sodium salt (6CI,7CI,8CI,9CI) acm3282857 DTXSID1041552 mfcd00043220 Sodium 4-ethyl-1-(3-ethylpentyl)-1-octylsulfate Tergitol 7 Tergitol No. 7

Inchi
InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChkey
MYTGFBZJLDLWQG-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C=CN2)C=C1Cl
Properties
Density
0.822
Melting Point
69-71℃
Boiling Point
482.9 °C at 760 mmHg
Vapour
0.00309mmHg at 25°C
Refractive Index
1.688
Flash Point
°C
HS Code
29339990
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S22;S24/25
HazardClass
IRRITANT
Safety

The safety information of Tergitol 7 (CAS NO.3282-85-7):
Moderately toxic by ingestion and skin contact. A skin and eye irritant. See also SULFATES. When heated to decomposition it emits toxic fumes of SOx and Na2O.

Toxicity

The toxicity of Tergitol 7 (CAS NO.3282-85-7):

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 425mg/kg (425mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: HEMATURIA
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
guinea pig LDLo skin 425mg/kg (425mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   Union Carbide Data Sheet. Vol. 1/20/1972,
rat LD50 oral 1430mg/kg (1430mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: HEMATURIA
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 478, 1941.

Transport
2811
Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:151.593g/mol
  • Molecular Formula:C9H8N4O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.9
  • Exact Mass:151.019
  • Monoisotopic Mass:151.019
  • Complexity:126
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:15.8A^2
  • Heavy Atom Count:10
  • 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: AAADcYByAAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHAIQAAAADArBHiQ8wPLJkACg AzRnRACCgCAxByAI2aA4ZpgIIOLBk5GEIAhgkADIyAcQgIAOAABAIAACAAAAAIBAAAQAAAAAAAAA AA==
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