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Home> Encyclopedia >   /  Benzene & Derivatives  /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Agrochemical Intermediates  /  Organic Intermediate
n-(4,5-diphenyl-1,3-thiazol-2-yl)pyridin-2-amine hydrochloride structure
n-(4,5-diphenyl-1,3-thiazol-2-yl)pyridin-2-amine hydrochloride structure

n-(4,5-diphenyl-1,3-thiazol-2-yl)pyridin-2-amine hydrochloride

Iupac Name:bromobenzene
CAS No.:108-86-1
Molecular Weight:157.0079
1. Names and Identifiers
1.1 Name
n-(4,5-diphenyl-1,3-thiazol-2-yl)pyridin-2-amine hydrochloride
1.2 Synonyms

AKOS022169231 KS-00003O2V MOLPORT-006-756-134 MS-11438 ST50952396

1.3 CAS No.
108-86-1
1.4 CID
7961
1.5 Molecular Formula
C15H22N2O2S (isomer)
1.6 Inchi
InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
1.7 InChkey
QARVLSVVCXYDNA-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)Br
1.9 Isomers Smiles
C1=CC=C(C=C1)Br
2. Properties
3.1 Melting Point
-31℃
3.2 Vapour
5 mm Hg at 82 °F ; 10 mm Hg at 104° F; 20 mm Hg at 128.8° F (NTP, 1992)
3.3 Refractive Index
1.558-1.560
3. Safety and Handling
4.1 Risk Statements
R10;R38;R51/53
4.2 Safety Statements
S61
4.3 HazardClass
3
4.3 PackingGroup
III
4.4 Transport
UN 2514
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H315 Causes skin irritation

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

P273 Avoid release to the environment.

Response

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

P370+P378 In case of fire: Use ... to extinguish.

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.

P391 Collect spillage.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:157.0079g/mol
  • Molecular Formula:C15H22N2O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:155.95746
  • Monoisotopic Mass:155.95746
  • Complexity:46.1
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:7
  • 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
6. Question & Answer
  • Bromobenzene is a complete compound, bromophenyl is a description of a unit in a larger compound Chemists abbreviate some groups to simplify the names of more complex compounds. So while bromobenzene is a complete name for a compound, bromophenyl signals that the unit occurs as part of a larger com...
  • I was solving some reactivity problems, and I was asked to prepare toluene from bromobenzene. While the suggested solution of the problem involves the preparation of a Grignard reagent, followed by a reaction with methyl bromide, I was wondering: Could the same compound be prepared with the straigh...
  • Benzene is 45 kJ/mol more energetic than bromobenzene. I understand that due to resonance in bromine to benzene in bromobenzene increase the stability but such an enormous amount of energy can't only be dealt by resonance. There must be another reason. What is it?
  • I started by taking F e C l X 3 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" F e C l X 3 F e C l X 3 to reduce electron-giving capacity of B r . " style="position: relative;" tabindex="0" id="MathJax-Element-3-Frame" class="MathJax" B r . B r . Then we nee...
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