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Home> Hot Product Listed 1   > 1,3-Benzenediol,4-(1,1,3,3-tetramethylbutyl)-
107534-96-3 structure

1,3-Benzenediol,4-(1,1,3,3-tetramethylbutyl)-

Iupac Name:1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
CAS No.:107534-96-3
Molecular Weight:307.82
Molecular Formula:C11H14N2O (isomer)
Properties
Density
1.389
Melting Point
102-105°C
Boiling Point
279.3°Cat760mmHg
Vapour
7.6E-10mmHg at 25°C
Refractive Index
1.5800 (estimate)
Flash Point
176.1°C
Safety and Handling
Risk Statements
22-51/53-63
Safety Statements
2-22-36/37-61
Transport
UN 3077 9/PG 3
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, 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)

H302 Harmful if swallowed

H361 Suspected of damaging fertility or the unborn child

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P201 Obtain special instructions before use.

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

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

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:307.82g/mol
  • Molecular Formula:C11H14N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:307.145
  • Monoisotopic Mass:307.145
  • Complexity:326
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:50.9A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIICAAADkbBmCQ3EIYIEgCi AiBDJAASAAswhYAdyAAIAoiKKCKBmxCEYAAsgAIYiAeQwOAPhAAAAAAAAAAIAAAAAAAAAAAAAAAA AA==
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