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Home> Hot Product Listed 1   > 1,1'-Biphenyl,3,3',4-trichloro-4'-methoxy-
148-79-8 structure

1,1'-Biphenyl,3,3',4-trichloro-4'-methoxy-

CAS No.:148-79-8
Molecular Weight:201.24768
Molecular Formula:C17H24O8 (isomer)
Names and Identifiers
Synonyms

,4-trichloro-4' 1,1' 1,2-dichloro-4-(3-chloro-4-methoxyphenyl)benzene AC1L46WK -Biphenyl, 3,3' -methoxy-

Inchi
InChI=1/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChkey
WJCNZQLZVWNLKY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3
Properties
Density
1.004
Melting Point
298-301℃
Boiling Point
306.4°Cat760mmHg
Vapour
3.89E-06mmHg at 25°C
Refractive Index
1.731
Safety and Handling
Risk Statements
R50/53
Safety Statements
S60;S61
HazardClass
9
PackingGroup
III
Transport
UN 3077
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:201.24768g/mol
  • Molecular Formula:C17H24O8
  • XLogP3-AA:2.5
  • Exact Mass:201.036068
  • Monoisotopic Mass:201.036068
  • Complexity:212
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:69.8
  • Heavy Atom Count:14
  • 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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