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Home> Hot Product Listed A   > AKOS027273083
92-86-4 structure

AKOS027273083

Iupac Name:1-bromo-4-(4-bromophenyl)benzene
CAS No.:92-86-4
Molecular Weight:312.004
Molecular Formula:C16H17NO5S2 (isomer)
Names and Identifiers
Synonyms

(4'-fluoro-3-(trifluoromethyl)biphenyl-2-yl)methanol AK235533

Inchi
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
InChkey
HQJQYILBCQPYBI-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br
Properties
Melting Point
166-169℃
Refractive Index
1.625
HS Code
29036990
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S37/39
HazardClass
9
PackingGroup
II
Transport
3152
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 92-86-4 EC: AKOS027273083 ·ECHA C&L Inventory for CAS: CAS: 92-86-4 EC: AKOS027273083
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

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

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

H351 Suspected of causing cancer

H410 Very 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.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

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

P273 Avoid release to the environment.

Response

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

P330 Rinse mouth.

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

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

P391 Collect spillage.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

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:312.004g/mol
  • Molecular Formula:C16H17NO5S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.7
  • Exact Mass:311.897
  • Monoisotopic Mass:309.899
  • Complexity:145
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBwAAAAGAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGABAAAABrACAGAAwAIAAAACA AiBCAAACAAAgAAQIiAAAAKgIICKAERCAIAAggAAIihcAgMAOggAAAAAAAAAEAAAAAAAAAAAAAAAA AA==
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