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139-65-1

139-65-1 structural image
Product Name: 4,4'-THIODIANILINE
Formula: C12H12N2S
Synonyms: 4,4′-Thiodianiline
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 4,4'-thiodianiline appears as needles or brown powder. (NTP, 1992)
Color/Form Needles (from water)
Melting Point 226 to 228 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 68 °F (NTP, 1992)
Vapor Pressure 0.0000111 [mmHg]
LogP log Kow = 2.18
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H350:Carcinogenicity
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 216.30 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 216.07211956 g/mol
Monoisotopic Mass 216.07211956 g/mol
Topological Polar Surface Area 77.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 162
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4,4'-thiodianiline appears as needles or brown powder. (NTP, 1992)