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1,3,5-Triazine-2,4-diamine,6-(4-methylphenyl)- structure
1,3,5-Triazine-2,4-diamine,6-(4-methylphenyl)- structure

1,3,5-Triazine-2,4-diamine,6-(4-methylphenyl)-

Iupac Name:benzene
CAS No.:71-43-2
Molecular Weight:78.11184
1. Names and Identifiers
1.1 Name
1,3,5-Triazine-2,4-diamine,6-(4-methylphenyl)-
1.2 Synonyms

1,3,5-Triazine-2,4-diaMine, 6-(4-Methylphenyl)- 2 4-DIAMINO-6-(4-METHYLPHENYL)-1 3 5- 2,4-Diamino-6-(4-methylphenyl)-1,3,5-triazine, 4-(4,6-Diamino-1,3,5-triazin-2-yl)toluene 6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine JR-6729, 6-p-Tolyl-1,3,5-triazine-2,4-diamine, 97%

1.3 CAS No.
71-43-2
1.4 CID
241
1.5 Molecular Formula
C20H33CL2N3O3 (isomer)
1.6 Inchi
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
1.7 InChkey
UHOVQNZJYSORNB-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=CC=C1
1.9 Isomers Smiles
C1=CC=CC=C1
2. Properties
2.1 Melting Point
5.5℃
2.2 Vapour
60 mm Hg at 59 °F ; 76 mm Hg at 68° F (NTP, 1992)
2.3 Refractive Index
1.5011
2.4 Flash Point
262.3°C
3. Safety and Handling
3.1 Risk Statements
R45;R46;R11;R36/38;R48/23/24/25;R65
3.2 Safety Statements
S53;S45
3.3 HazardClass
3
3.3 PackingGroup
II
3.4 Transport
UN 1114 3/PG 2
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin irritation, Category 2

Eye irritation, Category 2

Aspiration hazard, Category 1

Germ cell mutagenicity, Category 1B

Carcinogenicity, Category 1A

Specific target organ toxicity \u2013 repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H315 Causes skin irritation

H319 Causes serious eye irritation

H304 May be fatal if swallowed and enters airways

H340 May cause genetic defects

H350 May cause cancer

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.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

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

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.

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

P337+P313 If eye irritation persists: Get medical advice/attention.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P331 Do NOT induce vomiting.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

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

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:78.11184g/mol
  • Molecular Formula:C20H33CL2N3O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:78.0469501914
  • Monoisotopic Mass:78.0469501914
  • Complexity:15.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0
  • Heavy Atom Count:6
  • 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
7. Question & Answer
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