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Home> Encyclopedia > Hot Product Listed 5   > 5-Benzothiazolamine
14541-90-3 structure

5-Benzothiazolamine

Iupac Name:sodium;1-amino-4-(3-ethenylsulfonylanilino)-9,10-dioxoanthracene-2-sulfonate
CAS No.:14541-90-3
Molecular Weight:506.479
Molecular Formula:C15H24O (isomer)
Names and Identifiers
Synonyms

1,3-BENZOTHIAZOL-5-AMINE 1,3-BENZOTHIAZOL-5-YLAMINE 1,3-Benzothiazole-5-amine 5-Aminobenzothiazole 5-BENZOTHIAZOLAMINE 5-BENZOTHIAZOLAMINE HYDROCHLORIDE benzothiazol-5-amine BENZOTHIAZOL-5-YLAMINE BENZOTHIAZOL-5-YLAMINE HYDROCHLORIDE Benzothiazole,5-amino- (6CI,7CI,8CI) CHEMBRDG-BB 4003348 NSC 170655

Inchi
InChI=1S/C22H16N2O7S2.Na/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26;/h2-11,24H,1,23H2,(H,29,30,31);/q;+1/p-1
InChkey
ANOULJGZTVOIFB-UHFFFAOYSA-M
Canonical Smiles
C=CS(=O)(=O)C1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[Na+]
Properties
Appearance
off-white solid.
Density
g/cm3
Melting Point
>300 °C(lit.)
Boiling Point
°Cat760mmHg
Safety and Handling
Risk Statements
R22
Safety Statements
Hazard Codes XnRisk Statements 22
Safety

Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 22-26-36/37/39
S22: Do not breathe dust
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: 2811
Hazard Note: Harmful

Specification

 1,3-Benzothiazol-5-amine (CAS NO.1123-93-9) is also called as Benzothiazol-5-amine ; Benzothiazol-5-ylamine ; Benzothiazol-5-ylamine hydrochloride ; 1,3-Benzothiazol-5-ylamine ; 5-Benzothiazolamine ; 5-Benzothiazolamine hydrochloride ; Benzothiazol-5-amine .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:506.479g/mol
  • Molecular Formula:C15H24O
  • Compound Is Canonicalized:True
  • Exact Mass:506.022
  • Monoisotopic Mass:506.022
  • Complexity:1020
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:180A^2
  • Heavy Atom Count:34
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccB7OCBgAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBUAAAHgQQAAAADAyF2ACwwYLAAAqI AqRSQHDCAEAlChAIiB0AZMgIIHrglZGEIYxgkADIyccdiMCOkACAwCASAQCgAQWAQCQCAAAAAAAA AA==
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