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Home> Hot Product Listed B   > BAS 00068976
612-82-8 structure

BAS 00068976

CAS No.:612-82-8
Molecular Weight:212.29024
Molecular Formula:C14H13N5O2 (isomer)
Names and Identifiers
Synonyms

1-(4-(4-butyl-phenyl)-2,2,4-trimethyl-3,4-dihydro-2h-quinolin-1-yl)-ethanone 1-(4-(4-butylphenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl)ethanone 1-[4-(4-butylphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]ethan-1-one 1-[4-(4-butyl-phenyl)-2,2,4-trimethyl-3,4-dihydro-2h-quinolin-1-yl]-ethanone 1-[4-(4-butylphenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2h)-yl]ethanone 1-[4-(4-butylphenyl)-2,2,4-trimethyl-3h-quinolin-1-yl]ethanone 1-acetyl-4-(4-butylphenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline AC1Q2VEG AC1Q2VEH AK276989 AKOS000670130 AKOS022088513 MCULE-2564209313 MOLPORT-001-805-588 OPREA1_166859 OPREA1_738817 ST50216127 STK870719 STOCK1S-04851

Inchi
InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3
InChkey
NUIURNJTPRWVAP-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N
Properties
Melting Point
>300°C
Safety and Handling
Risk Statements
R22;R45;R51/53;R68
Safety Statements
S45;S53;S61
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 1789/3077
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 1B

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

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H350 May cause cancer

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:212.29024g/mol
  • Molecular Formula:C14H13N5O2
  • XLogP3-AA:2.3
  • Exact Mass:212.131349
  • Monoisotopic Mass:212.131349
  • Complexity:205
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:52
  • Heavy Atom Count:16
  • 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
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:0086-571-86976032
  • Fax:
  • Tel:+86-571-85378921
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  • Tel:++86 21 52387770, 52387772, 52387128
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